USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 966 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 99 HIS : no HD1:sc= 1.25 K(o=2.5,f=-2.8!) USER MOD Set 1.2: A 112 SER OG : rot -89:sc= 1.25 USER MOD Set 2.1: A 96 ASN : amide:sc= 0.542 K(o=1.2,f=-1.4) USER MOD Set 2.2: A 115 SER OG : rot 180:sc= 0.628 USER MOD Set 3.1: A 52 HIS : no HD1:sc= 2.1 K(o=3.2,f=-4.3!) USER MOD Set 3.2: A 58 THR OG1 : rot 118:sc= 1.06 USER MOD Set 4.1: A 38 THR OG1 : rot 180:sc= 0.569 USER MOD Set 4.2: A 51 GLN : amide:sc= -1.96! C(o=-1.4!,f=-8.2!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.711 USER MOD Single : A 5 LYS NZ :NH3+ -139:sc= 1.29 (180deg=-0.243) USER MOD Single : A 6 TYR OH : rot -176:sc= 0.262 USER MOD Single : A 10 SER OG : rot 3:sc= 0.572 USER MOD Single : A 13 ASN : amide:sc= 0.27 K(o=0.27,f=-1.5!) USER MOD Single : A 14 TYR OH : rot -64:sc= 1.29 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -109:sc= -0.384 (180deg=-0.753) USER MOD Single : A 33 ASN : amide:sc= 0.334 X(o=0.33,f=-0.036) USER MOD Single : A 34 CYS SG : rot 179:sc= 0.724 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0.717 K(o=0.72,f=-4.2!) USER MOD Single : A 43 ASN : amide:sc= -0.362 K(o=-0.36,f=-1.9) USER MOD Single : A 45 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.3) USER MOD Single : A 48 THR OG1 : rot 92:sc= 0.089 USER MOD Single : A 50 THR OG1 : rot 82:sc= -1.52! USER MOD Single : A 59 THR OG1 : rot -161:sc= 0.0811 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.446 USER MOD Single : A 61 ASN : amide:sc= 0.513 K(o=0.51,f=-7.9!) USER MOD Single : A 62 SER OG : rot 24:sc= 0.268 USER MOD Single : A 64 THR OG1 : rot -2:sc= 0.488 USER MOD Single : A 67 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00666) USER MOD Single : A 71 MET CE :methyl -175:sc= -1.42 (180deg=-1.71) USER MOD Single : A 73 THR OG1 : rot 170:sc= -0.0914 USER MOD Single : A 74 MET CE :methyl -156:sc= -0.0017 (180deg=-0.338) USER MOD Single : A 78 LYS NZ :NH3+ -161:sc= 1.26 (180deg=0.596) USER MOD Single : A 80 LYS NZ :NH3+ -141:sc= 1.2 (180deg=-0.579) USER MOD Single : A 82 THR OG1 : rot -52:sc= 1.25 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 175:sc= -1.23 (180deg=-1.32) USER MOD Single : A 89 LYS NZ :NH3+ -124:sc= 2.45 (180deg=-0.131) USER MOD Single : A 97 TYR OH : rot 112:sc= 0.904 USER MOD Single : A 98 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.02) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.714 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 114:sc= 1.09 USER MOD Single : A 119 TYR OH : rot 62:sc= -0.0124 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 1.31 (180deg=1.31) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -128:sc= 1.53 (180deg=0.555) USER MOD Single : A 125 LYS NZ :NH3+ -153:sc= 1.06 (180deg=0.23) USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 2 -12.360 -6.728 -3.025 1.00 0.35 N ATOM 12 CA PHE A 2 -11.122 -6.295 -2.399 1.00 0.27 C ATOM 13 C PHE A 2 -10.876 -7.069 -1.114 1.00 0.23 C ATOM 14 O PHE A 2 -9.744 -7.159 -0.645 1.00 0.25 O ATOM 15 CB PHE A 2 -11.161 -4.797 -2.088 1.00 0.33 C ATOM 16 CG PHE A 2 -10.741 -3.932 -3.232 1.00 0.31 C ATOM 17 CD1 PHE A 2 -9.490 -4.078 -3.803 1.00 1.22 C ATOM 18 CD2 PHE A 2 -11.598 -2.972 -3.732 1.00 1.24 C ATOM 19 CE1 PHE A 2 -9.104 -3.280 -4.858 1.00 1.23 C ATOM 20 CE2 PHE A 2 -11.218 -2.171 -4.786 1.00 1.24 C ATOM 21 CZ PHE A 2 -9.970 -2.324 -5.351 1.00 0.36 C ATOM 0 HA PHE A 2 -10.310 -6.490 -3.100 1.00 0.27 H new ATOM 0 HB2 PHE A 2 -12.173 -4.524 -1.790 1.00 0.33 H new ATOM 0 HB3 PHE A 2 -10.513 -4.596 -1.235 1.00 0.33 H new ATOM 0 HD1 PHE A 2 -8.810 -4.824 -3.419 1.00 1.22 H new ATOM 0 HD2 PHE A 2 -12.577 -2.848 -3.292 1.00 1.24 H new ATOM 0 HE1 PHE A 2 -8.126 -3.402 -5.299 1.00 1.23 H new ATOM 0 HE2 PHE A 2 -11.897 -1.424 -5.169 1.00 1.24 H new ATOM 0 HZ PHE A 2 -9.670 -1.697 -6.178 1.00 0.36 H new ATOM 31 N THR A 3 -11.942 -7.623 -0.553 1.00 0.20 N ATOM 32 CA THR A 3 -11.856 -8.379 0.683 1.00 0.19 C ATOM 33 C THR A 3 -10.936 -9.583 0.549 1.00 0.19 C ATOM 34 O THR A 3 -10.916 -10.259 -0.483 1.00 0.26 O ATOM 35 CB THR A 3 -13.242 -8.866 1.125 1.00 0.21 C ATOM 36 OG1 THR A 3 -14.252 -7.952 0.661 1.00 0.24 O ATOM 37 CG2 THR A 3 -13.291 -8.978 2.640 1.00 0.26 C ATOM 0 H THR A 3 -12.883 -7.560 -0.941 1.00 0.20 H new ATOM 0 HA THR A 3 -11.444 -7.703 1.432 1.00 0.19 H new ATOM 0 HB THR A 3 -13.431 -9.849 0.693 1.00 0.21 H new ATOM 0 HG1 THR A 3 -15.135 -8.269 0.945 1.00 0.24 H new ATOM 0 HG21 THR A 3 -14.278 -9.324 2.948 1.00 0.26 H new ATOM 0 HG22 THR A 3 -12.536 -9.688 2.977 1.00 0.26 H new ATOM 0 HG23 THR A 3 -13.095 -8.002 3.084 1.00 0.26 H new ATOM 45 N GLY A 4 -10.181 -9.853 1.595 1.00 0.19 N ATOM 46 CA GLY A 4 -9.282 -10.973 1.566 1.00 0.21 C ATOM 47 C GLY A 4 -7.880 -10.580 1.954 1.00 0.19 C ATOM 48 O GLY A 4 -7.567 -9.394 2.060 1.00 0.21 O ATOM 0 H GLY A 4 -10.176 -9.316 2.462 1.00 0.19 H new ATOM 0 HA2 GLY A 4 -9.643 -11.746 2.245 1.00 0.21 H new ATOM 0 HA3 GLY A 4 -9.274 -11.406 0.566 1.00 0.21 H new ATOM 52 N LYS A 5 -7.045 -11.569 2.194 1.00 0.20 N ATOM 53 CA LYS A 5 -5.659 -11.319 2.540 1.00 0.20 C ATOM 54 C LYS A 5 -4.828 -11.386 1.267 1.00 0.18 C ATOM 55 O LYS A 5 -5.123 -12.173 0.360 1.00 0.19 O ATOM 56 CB LYS A 5 -5.152 -12.330 3.579 1.00 0.23 C ATOM 57 CG LYS A 5 -4.314 -13.444 2.974 1.00 0.28 C ATOM 58 CD LYS A 5 -4.007 -14.547 3.969 1.00 0.31 C ATOM 59 CE LYS A 5 -2.750 -14.246 4.760 1.00 0.56 C ATOM 60 NZ LYS A 5 -1.934 -15.466 4.981 1.00 1.54 N ATOM 0 H LYS A 5 -7.301 -12.556 2.156 1.00 0.20 H new ATOM 0 HA LYS A 5 -5.569 -10.331 2.990 1.00 0.20 H new ATOM 0 HB2 LYS A 5 -4.559 -11.805 4.328 1.00 0.23 H new ATOM 0 HB3 LYS A 5 -6.006 -12.767 4.097 1.00 0.23 H new ATOM 0 HG2 LYS A 5 -4.841 -13.867 2.119 1.00 0.28 H new ATOM 0 HG3 LYS A 5 -3.379 -13.028 2.598 1.00 0.28 H new ATOM 0 HD2 LYS A 5 -4.848 -14.667 4.652 1.00 0.31 H new ATOM 0 HD3 LYS A 5 -3.888 -15.493 3.440 1.00 0.31 H new ATOM 0 HE2 LYS A 5 -2.156 -13.502 4.229 1.00 0.56 H new ATOM 0 HE3 LYS A 5 -3.021 -13.810 5.722 1.00 0.56 H new ATOM 0 HZ1 LYS A 5 -1.562 -15.464 5.952 1.00 1.54 H new ATOM 0 HZ2 LYS A 5 -2.525 -16.310 4.838 1.00 1.54 H new ATOM 0 HZ3 LYS A 5 -1.142 -15.481 4.307 1.00 1.54 H new ATOM 74 N TYR A 6 -3.818 -10.547 1.181 1.00 0.19 N ATOM 75 CA TYR A 6 -2.960 -10.519 0.017 1.00 0.19 C ATOM 76 C TYR A 6 -1.514 -10.665 0.428 1.00 0.19 C ATOM 77 O TYR A 6 -1.083 -10.087 1.422 1.00 0.23 O ATOM 78 CB TYR A 6 -3.156 -9.226 -0.771 1.00 0.22 C ATOM 79 CG TYR A 6 -4.567 -9.041 -1.278 1.00 0.23 C ATOM 80 CD1 TYR A 6 -4.996 -9.685 -2.427 1.00 1.14 C ATOM 81 CD2 TYR A 6 -5.468 -8.227 -0.605 1.00 1.25 C ATOM 82 CE1 TYR A 6 -6.286 -9.529 -2.892 1.00 1.13 C ATOM 83 CE2 TYR A 6 -6.759 -8.066 -1.064 1.00 1.29 C ATOM 84 CZ TYR A 6 -7.162 -8.718 -2.209 1.00 0.35 C ATOM 85 OH TYR A 6 -8.447 -8.569 -2.668 1.00 0.44 O ATOM 0 H TYR A 6 -3.571 -9.873 1.906 1.00 0.19 H new ATOM 0 HA TYR A 6 -3.230 -11.357 -0.626 1.00 0.19 H new ATOM 0 HB2 TYR A 6 -2.891 -8.379 -0.137 1.00 0.22 H new ATOM 0 HB3 TYR A 6 -2.469 -9.217 -1.618 1.00 0.22 H new ATOM 0 HD1 TYR A 6 -4.310 -10.320 -2.968 1.00 1.14 H new ATOM 0 HD2 TYR A 6 -5.154 -7.712 0.291 1.00 1.25 H new ATOM 0 HE1 TYR A 6 -6.606 -10.041 -3.787 1.00 1.13 H new ATOM 0 HE2 TYR A 6 -7.450 -7.432 -0.529 1.00 1.29 H new ATOM 0 HH TYR A 6 -8.920 -7.916 -2.111 1.00 0.44 H new ATOM 95 N GLU A 7 -0.779 -11.457 -0.322 1.00 0.19 N ATOM 96 CA GLU A 7 0.624 -11.675 -0.039 1.00 0.21 C ATOM 97 C GLU A 7 1.455 -11.382 -1.273 1.00 0.19 C ATOM 98 O GLU A 7 1.004 -11.607 -2.401 1.00 0.22 O ATOM 99 CB GLU A 7 0.861 -13.102 0.443 1.00 0.26 C ATOM 100 CG GLU A 7 0.492 -13.315 1.901 1.00 0.33 C ATOM 101 CD GLU A 7 0.797 -14.716 2.387 1.00 0.59 C ATOM 102 OE1 GLU A 7 1.728 -15.350 1.848 1.00 1.41 O ATOM 103 OE2 GLU A 7 0.117 -15.187 3.324 1.00 1.20 O ATOM 0 H GLU A 7 -1.131 -11.962 -1.135 1.00 0.19 H new ATOM 0 HA GLU A 7 0.929 -10.995 0.757 1.00 0.21 H new ATOM 0 HB2 GLU A 7 0.281 -13.787 -0.175 1.00 0.26 H new ATOM 0 HB3 GLU A 7 1.911 -13.356 0.301 1.00 0.26 H new ATOM 0 HG2 GLU A 7 1.033 -12.596 2.516 1.00 0.33 H new ATOM 0 HG3 GLU A 7 -0.571 -13.113 2.035 1.00 0.33 H new ATOM 110 N PHE A 8 2.656 -10.867 -1.037 1.00 0.23 N ATOM 111 CA PHE A 8 3.593 -10.505 -2.095 1.00 0.25 C ATOM 112 C PHE A 8 3.704 -11.589 -3.165 1.00 0.24 C ATOM 113 O PHE A 8 3.866 -12.774 -2.866 1.00 0.33 O ATOM 114 CB PHE A 8 4.972 -10.228 -1.479 1.00 0.33 C ATOM 115 CG PHE A 8 6.071 -10.017 -2.483 1.00 0.68 C ATOM 116 CD1 PHE A 8 6.025 -8.958 -3.377 1.00 1.32 C ATOM 117 CD2 PHE A 8 7.152 -10.884 -2.533 1.00 1.55 C ATOM 118 CE1 PHE A 8 7.035 -8.770 -4.298 1.00 1.57 C ATOM 119 CE2 PHE A 8 8.165 -10.698 -3.453 1.00 1.86 C ATOM 120 CZ PHE A 8 8.106 -9.641 -4.337 1.00 1.49 C ATOM 0 H PHE A 8 3.010 -10.687 -0.098 1.00 0.23 H new ATOM 0 HA PHE A 8 3.214 -9.609 -2.586 1.00 0.25 H new ATOM 0 HB2 PHE A 8 4.902 -9.344 -0.845 1.00 0.33 H new ATOM 0 HB3 PHE A 8 5.242 -11.064 -0.833 1.00 0.33 H new ATOM 0 HD1 PHE A 8 5.190 -8.273 -3.352 1.00 1.32 H new ATOM 0 HD2 PHE A 8 7.202 -11.714 -1.844 1.00 1.55 H new ATOM 0 HE1 PHE A 8 6.988 -7.941 -4.989 1.00 1.57 H new ATOM 0 HE2 PHE A 8 9.002 -11.379 -3.480 1.00 1.86 H new ATOM 0 HZ PHE A 8 8.896 -9.495 -5.059 1.00 1.49 H new ATOM 130 N GLU A 9 3.578 -11.166 -4.410 1.00 0.25 N ATOM 131 CA GLU A 9 3.684 -12.059 -5.547 1.00 0.26 C ATOM 132 C GLU A 9 4.705 -11.507 -6.533 1.00 0.28 C ATOM 133 O GLU A 9 5.564 -12.231 -7.029 1.00 0.34 O ATOM 134 CB GLU A 9 2.325 -12.216 -6.231 1.00 0.27 C ATOM 135 CG GLU A 9 2.356 -13.159 -7.422 1.00 0.35 C ATOM 136 CD GLU A 9 1.830 -14.540 -7.088 1.00 0.61 C ATOM 137 OE1 GLU A 9 2.180 -15.075 -6.011 1.00 1.19 O ATOM 138 OE2 GLU A 9 1.069 -15.100 -7.903 1.00 1.46 O ATOM 0 H GLU A 9 3.399 -10.193 -4.660 1.00 0.25 H new ATOM 0 HA GLU A 9 4.010 -13.039 -5.200 1.00 0.26 H new ATOM 0 HB2 GLU A 9 1.601 -12.584 -5.504 1.00 0.27 H new ATOM 0 HB3 GLU A 9 1.977 -11.237 -6.561 1.00 0.27 H new ATOM 0 HG2 GLU A 9 1.762 -12.735 -8.232 1.00 0.35 H new ATOM 0 HG3 GLU A 9 3.380 -13.243 -7.787 1.00 0.35 H new ATOM 145 N SER A 10 4.598 -10.217 -6.817 1.00 0.26 N ATOM 146 CA SER A 10 5.510 -9.556 -7.737 1.00 0.29 C ATOM 147 C SER A 10 5.567 -8.056 -7.448 1.00 0.27 C ATOM 148 O SER A 10 4.720 -7.527 -6.728 1.00 0.32 O ATOM 149 CB SER A 10 5.066 -9.808 -9.179 1.00 0.34 C ATOM 150 OG SER A 10 5.171 -11.185 -9.520 1.00 1.01 O ATOM 0 H SER A 10 3.884 -9.605 -6.421 1.00 0.26 H new ATOM 0 HA SER A 10 6.510 -9.967 -7.599 1.00 0.29 H new ATOM 0 HB2 SER A 10 4.035 -9.477 -9.307 1.00 0.34 H new ATOM 0 HB3 SER A 10 5.678 -9.215 -9.859 1.00 0.34 H new ATOM 0 HG SER A 10 5.462 -11.695 -8.735 1.00 1.01 H new ATOM 156 N ASP A 11 6.560 -7.379 -8.013 1.00 0.28 N ATOM 157 CA ASP A 11 6.735 -5.946 -7.821 1.00 0.28 C ATOM 158 C ASP A 11 7.353 -5.344 -9.072 1.00 0.28 C ATOM 159 O ASP A 11 7.873 -6.069 -9.921 1.00 0.34 O ATOM 160 CB ASP A 11 7.625 -5.647 -6.606 1.00 0.32 C ATOM 161 CG ASP A 11 9.088 -5.969 -6.850 1.00 0.97 C ATOM 162 OD1 ASP A 11 9.460 -7.160 -6.777 1.00 1.71 O ATOM 163 OD2 ASP A 11 9.869 -5.031 -7.108 1.00 1.72 O ATOM 0 H ASP A 11 7.264 -7.807 -8.615 1.00 0.28 H new ATOM 0 HA ASP A 11 5.757 -5.502 -7.636 1.00 0.28 H new ATOM 0 HB2 ASP A 11 7.529 -4.594 -6.343 1.00 0.32 H new ATOM 0 HB3 ASP A 11 7.269 -6.223 -5.751 1.00 0.32 H new ATOM 168 N GLU A 12 7.270 -4.030 -9.202 1.00 0.26 N ATOM 169 CA GLU A 12 7.825 -3.352 -10.355 1.00 0.27 C ATOM 170 C GLU A 12 8.206 -1.922 -10.001 1.00 0.25 C ATOM 171 O GLU A 12 7.446 -1.202 -9.347 1.00 0.26 O ATOM 172 CB GLU A 12 6.816 -3.378 -11.496 1.00 0.32 C ATOM 173 CG GLU A 12 7.133 -2.446 -12.656 1.00 0.38 C ATOM 174 CD GLU A 12 6.409 -2.838 -13.924 1.00 0.57 C ATOM 175 OE1 GLU A 12 5.159 -2.806 -13.941 1.00 1.00 O ATOM 176 OE2 GLU A 12 7.086 -3.202 -14.906 1.00 1.44 O ATOM 0 H GLU A 12 6.823 -3.415 -8.522 1.00 0.26 H new ATOM 0 HA GLU A 12 8.730 -3.869 -10.673 1.00 0.27 H new ATOM 0 HB2 GLU A 12 6.747 -4.397 -11.877 1.00 0.32 H new ATOM 0 HB3 GLU A 12 5.835 -3.119 -11.099 1.00 0.32 H new ATOM 0 HG2 GLU A 12 6.859 -1.426 -12.385 1.00 0.38 H new ATOM 0 HG3 GLU A 12 8.208 -2.450 -12.838 1.00 0.38 H new ATOM 183 N ASN A 13 9.391 -1.536 -10.454 1.00 0.25 N ATOM 184 CA ASN A 13 9.946 -0.200 -10.218 1.00 0.25 C ATOM 185 C ASN A 13 10.114 0.095 -8.734 1.00 0.23 C ATOM 186 O ASN A 13 10.026 1.248 -8.317 1.00 0.30 O ATOM 187 CB ASN A 13 9.069 0.884 -10.853 1.00 0.29 C ATOM 188 CG ASN A 13 9.444 1.171 -12.295 1.00 0.45 C ATOM 189 OD1 ASN A 13 10.602 1.036 -12.688 1.00 0.51 O ATOM 190 ND2 ASN A 13 8.470 1.580 -13.096 1.00 0.84 N ATOM 0 H ASN A 13 10.003 -2.142 -11.000 1.00 0.25 H new ATOM 0 HA ASN A 13 10.930 -0.188 -10.686 1.00 0.25 H new ATOM 0 HB2 ASN A 13 8.025 0.573 -10.808 1.00 0.29 H new ATOM 0 HB3 ASN A 13 9.154 1.801 -10.270 1.00 0.29 H new ATOM 0 HD21 ASN A 13 8.669 1.794 -14.073 1.00 0.84 H new ATOM 0 HD22 ASN A 13 7.521 1.680 -12.735 1.00 0.84 H new ATOM 197 N TYR A 14 10.379 -0.932 -7.938 1.00 0.23 N ATOM 198 CA TYR A 14 10.551 -0.749 -6.504 1.00 0.25 C ATOM 199 C TYR A 14 11.766 0.127 -6.201 1.00 0.23 C ATOM 200 O TYR A 14 11.650 1.161 -5.543 1.00 0.22 O ATOM 201 CB TYR A 14 10.695 -2.098 -5.794 1.00 0.32 C ATOM 202 CG TYR A 14 10.380 -2.029 -4.313 1.00 0.44 C ATOM 203 CD1 TYR A 14 11.255 -1.417 -3.423 1.00 1.28 C ATOM 204 CD2 TYR A 14 9.200 -2.560 -3.807 1.00 1.30 C ATOM 205 CE1 TYR A 14 10.961 -1.332 -2.075 1.00 1.39 C ATOM 206 CE2 TYR A 14 8.903 -2.483 -2.461 1.00 1.36 C ATOM 207 CZ TYR A 14 9.783 -1.865 -1.601 1.00 0.78 C ATOM 208 OH TYR A 14 9.483 -1.777 -0.265 1.00 0.98 O ATOM 0 H TYR A 14 10.479 -1.895 -8.259 1.00 0.23 H new ATOM 0 HA TYR A 14 9.659 -0.247 -6.130 1.00 0.25 H new ATOM 0 HB2 TYR A 14 10.032 -2.823 -6.267 1.00 0.32 H new ATOM 0 HB3 TYR A 14 11.713 -2.464 -5.926 1.00 0.32 H new ATOM 0 HD1 TYR A 14 12.181 -1.001 -3.791 1.00 1.28 H new ATOM 0 HD2 TYR A 14 8.504 -3.041 -4.478 1.00 1.30 H new ATOM 0 HE1 TYR A 14 11.651 -0.851 -1.398 1.00 1.39 H new ATOM 0 HE2 TYR A 14 7.984 -2.906 -2.084 1.00 1.36 H new ATOM 0 HH TYR A 14 10.140 -2.288 0.252 1.00 0.98 H new ATOM 218 N ASP A 15 12.925 -0.289 -6.695 1.00 0.25 N ATOM 219 CA ASP A 15 14.170 0.440 -6.467 1.00 0.26 C ATOM 220 C ASP A 15 14.103 1.843 -7.050 1.00 0.25 C ATOM 221 O ASP A 15 14.630 2.790 -6.475 1.00 0.26 O ATOM 222 CB ASP A 15 15.352 -0.304 -7.079 1.00 0.33 C ATOM 223 CG ASP A 15 15.343 -1.776 -6.748 1.00 0.50 C ATOM 224 OD1 ASP A 15 14.597 -2.531 -7.401 1.00 1.30 O ATOM 225 OD2 ASP A 15 16.073 -2.185 -5.824 1.00 1.18 O ATOM 0 H ASP A 15 13.031 -1.132 -7.259 1.00 0.25 H new ATOM 0 HA ASP A 15 14.309 0.514 -5.388 1.00 0.26 H new ATOM 0 HB2 ASP A 15 15.335 -0.178 -8.162 1.00 0.33 H new ATOM 0 HB3 ASP A 15 16.281 0.140 -6.721 1.00 0.33 H new ATOM 230 N ASP A 16 13.454 1.967 -8.195 1.00 0.25 N ATOM 231 CA ASP A 16 13.309 3.256 -8.855 1.00 0.26 C ATOM 232 C ASP A 16 12.445 4.190 -8.025 1.00 0.25 C ATOM 233 O ASP A 16 12.692 5.395 -7.963 1.00 0.29 O ATOM 234 CB ASP A 16 12.677 3.066 -10.227 1.00 0.29 C ATOM 235 CG ASP A 16 13.680 3.192 -11.346 1.00 0.72 C ATOM 236 OD1 ASP A 16 14.343 2.189 -11.674 1.00 1.46 O ATOM 237 OD2 ASP A 16 13.817 4.301 -11.904 1.00 1.20 O ATOM 0 H ASP A 16 13.017 1.189 -8.689 1.00 0.25 H new ATOM 0 HA ASP A 16 14.299 3.699 -8.965 1.00 0.26 H new ATOM 0 HB2 ASP A 16 12.206 2.084 -10.274 1.00 0.29 H new ATOM 0 HB3 ASP A 16 11.888 3.805 -10.366 1.00 0.29 H new ATOM 242 N PHE A 17 11.433 3.619 -7.393 1.00 0.21 N ATOM 243 CA PHE A 17 10.512 4.371 -6.564 1.00 0.21 C ATOM 244 C PHE A 17 11.196 4.862 -5.301 1.00 0.20 C ATOM 245 O PHE A 17 11.162 6.053 -4.990 1.00 0.23 O ATOM 246 CB PHE A 17 9.329 3.489 -6.199 1.00 0.21 C ATOM 247 CG PHE A 17 8.194 4.227 -5.563 1.00 0.24 C ATOM 248 CD1 PHE A 17 7.487 5.176 -6.280 1.00 1.17 C ATOM 249 CD2 PHE A 17 7.823 3.962 -4.255 1.00 1.22 C ATOM 250 CE1 PHE A 17 6.431 5.849 -5.703 1.00 1.19 C ATOM 251 CE2 PHE A 17 6.766 4.630 -3.674 1.00 1.24 C ATOM 252 CZ PHE A 17 6.069 5.576 -4.400 1.00 0.38 C ATOM 0 H PHE A 17 11.229 2.621 -7.442 1.00 0.21 H new ATOM 0 HA PHE A 17 10.167 5.240 -7.124 1.00 0.21 H new ATOM 0 HB2 PHE A 17 8.967 2.993 -7.100 1.00 0.21 H new ATOM 0 HB3 PHE A 17 9.668 2.708 -5.519 1.00 0.21 H new ATOM 0 HD1 PHE A 17 7.765 5.392 -7.301 1.00 1.17 H new ATOM 0 HD2 PHE A 17 8.367 3.224 -3.684 1.00 1.22 H new ATOM 0 HE1 PHE A 17 5.887 6.590 -6.271 1.00 1.19 H new ATOM 0 HE2 PHE A 17 6.484 4.414 -2.654 1.00 1.24 H new ATOM 0 HZ PHE A 17 5.241 6.102 -3.948 1.00 0.38 H new ATOM 262 N VAL A 18 11.829 3.937 -4.587 1.00 0.19 N ATOM 263 CA VAL A 18 12.520 4.262 -3.347 1.00 0.21 C ATOM 264 C VAL A 18 13.647 5.268 -3.582 1.00 0.23 C ATOM 265 O VAL A 18 13.869 6.160 -2.761 1.00 0.26 O ATOM 266 CB VAL A 18 13.066 2.997 -2.649 1.00 0.23 C ATOM 267 CG1 VAL A 18 11.923 2.061 -2.294 1.00 0.25 C ATOM 268 CG2 VAL A 18 14.082 2.281 -3.524 1.00 0.23 C ATOM 0 H VAL A 18 11.877 2.952 -4.848 1.00 0.19 H new ATOM 0 HA VAL A 18 11.784 4.721 -2.686 1.00 0.21 H new ATOM 0 HB VAL A 18 13.570 3.306 -1.733 1.00 0.23 H new ATOM 0 HG11 VAL A 18 12.320 1.173 -1.802 1.00 0.25 H new ATOM 0 HG12 VAL A 18 11.232 2.569 -1.622 1.00 0.25 H new ATOM 0 HG13 VAL A 18 11.397 1.769 -3.203 1.00 0.25 H new ATOM 0 HG21 VAL A 18 14.448 1.395 -3.006 1.00 0.23 H new ATOM 0 HG22 VAL A 18 13.610 1.984 -4.461 1.00 0.23 H new ATOM 0 HG23 VAL A 18 14.917 2.950 -3.734 1.00 0.23 H new ATOM 278 N LYS A 19 14.344 5.138 -4.710 1.00 0.24 N ATOM 279 CA LYS A 19 15.427 6.055 -5.043 1.00 0.29 C ATOM 280 C LYS A 19 14.878 7.418 -5.446 1.00 0.30 C ATOM 281 O LYS A 19 15.567 8.433 -5.340 1.00 0.34 O ATOM 282 CB LYS A 19 16.282 5.484 -6.173 1.00 0.33 C ATOM 283 CG LYS A 19 17.379 4.541 -5.699 1.00 0.41 C ATOM 284 CD LYS A 19 18.535 5.305 -5.070 1.00 0.54 C ATOM 285 CE LYS A 19 18.685 4.990 -3.592 1.00 0.87 C ATOM 286 NZ LYS A 19 19.857 5.689 -3.002 1.00 1.18 N ATOM 0 H LYS A 19 14.177 4.409 -5.404 1.00 0.24 H new ATOM 0 HA LYS A 19 16.049 6.179 -4.156 1.00 0.29 H new ATOM 0 HB2 LYS A 19 15.636 4.952 -6.871 1.00 0.33 H new ATOM 0 HB3 LYS A 19 16.737 6.308 -6.723 1.00 0.33 H new ATOM 0 HG2 LYS A 19 16.968 3.838 -4.974 1.00 0.41 H new ATOM 0 HG3 LYS A 19 17.745 3.953 -6.541 1.00 0.41 H new ATOM 0 HD2 LYS A 19 19.460 5.056 -5.590 1.00 0.54 H new ATOM 0 HD3 LYS A 19 18.375 6.376 -5.199 1.00 0.54 H new ATOM 0 HE2 LYS A 19 17.779 5.285 -3.062 1.00 0.87 H new ATOM 0 HE3 LYS A 19 18.796 3.914 -3.458 1.00 0.87 H new ATOM 0 HZ1 LYS A 19 19.930 5.452 -1.992 1.00 1.18 H new ATOM 0 HZ2 LYS A 19 20.724 5.388 -3.492 1.00 1.18 H new ATOM 0 HZ3 LYS A 19 19.738 6.717 -3.109 1.00 1.18 H new ATOM 300 N LYS A 20 13.629 7.436 -5.902 1.00 0.29 N ATOM 301 CA LYS A 20 12.992 8.675 -6.324 1.00 0.32 C ATOM 302 C LYS A 20 12.473 9.459 -5.127 1.00 0.31 C ATOM 303 O LYS A 20 12.719 10.661 -5.008 1.00 0.36 O ATOM 304 CB LYS A 20 11.842 8.390 -7.289 1.00 0.35 C ATOM 305 CG LYS A 20 11.335 9.629 -8.010 1.00 0.58 C ATOM 306 CD LYS A 20 12.337 10.117 -9.044 1.00 0.73 C ATOM 307 CE LYS A 20 11.849 11.376 -9.733 1.00 0.71 C ATOM 308 NZ LYS A 20 12.530 12.591 -9.216 1.00 0.88 N ATOM 0 H LYS A 20 13.041 6.607 -5.988 1.00 0.29 H new ATOM 0 HA LYS A 20 13.745 9.275 -6.835 1.00 0.32 H new ATOM 0 HB2 LYS A 20 12.170 7.658 -8.027 1.00 0.35 H new ATOM 0 HB3 LYS A 20 11.018 7.938 -6.737 1.00 0.35 H new ATOM 0 HG2 LYS A 20 10.386 9.406 -8.498 1.00 0.58 H new ATOM 0 HG3 LYS A 20 11.143 10.420 -7.286 1.00 0.58 H new ATOM 0 HD2 LYS A 20 13.295 10.312 -8.562 1.00 0.73 H new ATOM 0 HD3 LYS A 20 12.507 9.336 -9.786 1.00 0.73 H new ATOM 0 HE2 LYS A 20 12.021 11.292 -10.806 1.00 0.71 H new ATOM 0 HE3 LYS A 20 10.773 11.474 -9.590 1.00 0.71 H new ATOM 0 HZ1 LYS A 20 12.168 13.430 -9.713 1.00 0.88 H new ATOM 0 HZ2 LYS A 20 12.345 12.686 -8.197 1.00 0.88 H new ATOM 0 HZ3 LYS A 20 13.554 12.509 -9.376 1.00 0.88 H new ATOM 322 N ILE A 21 11.767 8.777 -4.235 1.00 0.28 N ATOM 323 CA ILE A 21 11.200 9.425 -3.058 1.00 0.30 C ATOM 324 C ILE A 21 12.272 9.765 -2.025 1.00 0.32 C ATOM 325 O ILE A 21 12.044 10.572 -1.124 1.00 0.39 O ATOM 326 CB ILE A 21 10.104 8.558 -2.399 1.00 0.29 C ATOM 327 CG1 ILE A 21 10.630 7.152 -2.104 1.00 0.24 C ATOM 328 CG2 ILE A 21 8.882 8.492 -3.306 1.00 0.31 C ATOM 329 CD1 ILE A 21 9.683 6.306 -1.278 1.00 0.30 C ATOM 0 H ILE A 21 11.573 7.778 -4.303 1.00 0.28 H new ATOM 0 HA ILE A 21 10.748 10.353 -3.409 1.00 0.30 H new ATOM 0 HB ILE A 21 9.817 9.016 -1.452 1.00 0.29 H new ATOM 0 HG12 ILE A 21 10.828 6.643 -3.047 1.00 0.24 H new ATOM 0 HG13 ILE A 21 11.582 7.233 -1.579 1.00 0.24 H new ATOM 0 HG21 ILE A 21 8.113 7.879 -2.836 1.00 0.31 H new ATOM 0 HG22 ILE A 21 8.495 9.498 -3.469 1.00 0.31 H new ATOM 0 HG23 ILE A 21 9.162 8.051 -4.263 1.00 0.31 H new ATOM 0 HD11 ILE A 21 10.125 5.324 -1.110 1.00 0.30 H new ATOM 0 HD12 ILE A 21 9.503 6.792 -0.319 1.00 0.30 H new ATOM 0 HD13 ILE A 21 8.738 6.193 -1.810 1.00 0.30 H new ATOM 341 N GLY A 22 13.438 9.146 -2.163 1.00 0.31 N ATOM 342 CA GLY A 22 14.527 9.408 -1.243 1.00 0.36 C ATOM 343 C GLY A 22 14.457 8.553 0.003 1.00 0.34 C ATOM 344 O GLY A 22 14.899 8.970 1.077 1.00 0.39 O ATOM 0 H GLY A 22 13.648 8.468 -2.895 1.00 0.31 H new ATOM 0 HA2 GLY A 22 15.476 9.229 -1.749 1.00 0.36 H new ATOM 0 HA3 GLY A 22 14.511 10.460 -0.958 1.00 0.36 H new ATOM 348 N LEU A 23 13.909 7.354 -0.138 1.00 0.28 N ATOM 349 CA LEU A 23 13.785 6.430 0.979 1.00 0.27 C ATOM 350 C LEU A 23 15.167 6.063 1.516 1.00 0.28 C ATOM 351 O LEU A 23 16.097 5.833 0.744 1.00 0.28 O ATOM 352 CB LEU A 23 13.035 5.168 0.531 1.00 0.24 C ATOM 353 CG LEU A 23 12.552 4.249 1.659 1.00 0.26 C ATOM 354 CD1 LEU A 23 11.381 4.861 2.401 1.00 0.31 C ATOM 355 CD2 LEU A 23 12.161 2.888 1.114 1.00 0.25 C ATOM 0 H LEU A 23 13.542 6.998 -1.020 1.00 0.28 H new ATOM 0 HA LEU A 23 13.220 6.912 1.777 1.00 0.27 H new ATOM 0 HB2 LEU A 23 12.172 5.471 -0.061 1.00 0.24 H new ATOM 0 HB3 LEU A 23 13.687 4.594 -0.127 1.00 0.24 H new ATOM 0 HG LEU A 23 13.379 4.126 2.359 1.00 0.26 H new ATOM 0 HD11 LEU A 23 11.061 4.186 3.195 1.00 0.31 H new ATOM 0 HD12 LEU A 23 11.683 5.814 2.835 1.00 0.31 H new ATOM 0 HD13 LEU A 23 10.556 5.023 1.708 1.00 0.31 H new ATOM 0 HD21 LEU A 23 11.821 2.252 1.932 1.00 0.25 H new ATOM 0 HD22 LEU A 23 11.357 3.004 0.387 1.00 0.25 H new ATOM 0 HD23 LEU A 23 13.023 2.428 0.631 1.00 0.25 H new ATOM 367 N PRO A 24 15.331 6.047 2.847 1.00 0.30 N ATOM 368 CA PRO A 24 16.606 5.704 3.478 1.00 0.32 C ATOM 369 C PRO A 24 16.995 4.256 3.216 1.00 0.30 C ATOM 370 O PRO A 24 16.144 3.364 3.237 1.00 0.28 O ATOM 371 CB PRO A 24 16.341 5.924 4.970 1.00 0.37 C ATOM 372 CG PRO A 24 14.868 5.838 5.121 1.00 0.36 C ATOM 373 CD PRO A 24 14.298 6.372 3.843 1.00 0.33 C ATOM 0 HA PRO A 24 17.430 6.303 3.090 1.00 0.32 H new ATOM 0 HB2 PRO A 24 16.843 5.169 5.575 1.00 0.37 H new ATOM 0 HB3 PRO A 24 16.714 6.894 5.297 1.00 0.37 H new ATOM 0 HG2 PRO A 24 14.551 4.809 5.291 1.00 0.36 H new ATOM 0 HG3 PRO A 24 14.527 6.422 5.976 1.00 0.36 H new ATOM 0 HD2 PRO A 24 13.345 5.902 3.601 1.00 0.33 H new ATOM 0 HD3 PRO A 24 14.119 7.446 3.901 1.00 0.33 H new ATOM 381 N ALA A 25 18.281 4.030 2.982 1.00 0.32 N ATOM 382 CA ALA A 25 18.801 2.693 2.712 1.00 0.34 C ATOM 383 C ALA A 25 18.444 1.726 3.826 1.00 0.35 C ATOM 384 O ALA A 25 18.173 0.551 3.581 1.00 0.36 O ATOM 385 CB ALA A 25 20.307 2.741 2.545 1.00 0.39 C ATOM 0 H ALA A 25 18.991 4.763 2.974 1.00 0.32 H new ATOM 0 HA ALA A 25 18.342 2.339 1.789 1.00 0.34 H new ATOM 0 HB1 ALA A 25 20.683 1.738 2.344 1.00 0.39 H new ATOM 0 HB2 ALA A 25 20.560 3.397 1.712 1.00 0.39 H new ATOM 0 HB3 ALA A 25 20.762 3.123 3.459 1.00 0.39 H new ATOM 391 N ASP A 26 18.442 2.238 5.048 1.00 0.37 N ATOM 392 CA ASP A 26 18.129 1.438 6.225 1.00 0.40 C ATOM 393 C ASP A 26 16.758 0.786 6.092 1.00 0.38 C ATOM 394 O ASP A 26 16.571 -0.376 6.448 1.00 0.42 O ATOM 395 CB ASP A 26 18.155 2.305 7.492 1.00 0.46 C ATOM 396 CG ASP A 26 19.245 3.357 7.479 1.00 1.27 C ATOM 397 OD1 ASP A 26 19.030 4.428 6.868 1.00 2.03 O ATOM 398 OD2 ASP A 26 20.314 3.129 8.083 1.00 2.03 O ATOM 0 H ASP A 26 18.656 3.214 5.252 1.00 0.37 H new ATOM 0 HA ASP A 26 18.887 0.659 6.304 1.00 0.40 H new ATOM 0 HB2 ASP A 26 17.188 2.795 7.608 1.00 0.46 H new ATOM 0 HB3 ASP A 26 18.292 1.661 8.361 1.00 0.46 H new ATOM 403 N LYS A 27 15.799 1.542 5.567 1.00 0.35 N ATOM 404 CA LYS A 27 14.442 1.041 5.401 1.00 0.36 C ATOM 405 C LYS A 27 14.278 0.355 4.052 1.00 0.32 C ATOM 406 O LYS A 27 13.516 -0.604 3.934 1.00 0.33 O ATOM 407 CB LYS A 27 13.414 2.166 5.545 1.00 0.39 C ATOM 408 CG LYS A 27 13.468 2.878 6.891 1.00 0.41 C ATOM 409 CD LYS A 27 13.227 1.907 8.041 1.00 0.48 C ATOM 410 CE LYS A 27 13.314 2.601 9.392 1.00 0.72 C ATOM 411 NZ LYS A 27 13.209 1.638 10.523 1.00 0.94 N ATOM 0 H LYS A 27 15.937 2.502 5.250 1.00 0.35 H new ATOM 0 HA LYS A 27 14.264 0.310 6.190 1.00 0.36 H new ATOM 0 HB2 LYS A 27 13.574 2.896 4.751 1.00 0.39 H new ATOM 0 HB3 LYS A 27 12.415 1.754 5.402 1.00 0.39 H new ATOM 0 HG2 LYS A 27 14.440 3.356 7.013 1.00 0.41 H new ATOM 0 HG3 LYS A 27 12.718 3.669 6.917 1.00 0.41 H new ATOM 0 HD2 LYS A 27 12.244 1.449 7.930 1.00 0.48 H new ATOM 0 HD3 LYS A 27 13.961 1.102 7.997 1.00 0.48 H new ATOM 0 HE2 LYS A 27 14.259 3.140 9.462 1.00 0.72 H new ATOM 0 HE3 LYS A 27 12.518 3.341 9.471 1.00 0.72 H new ATOM 0 HZ1 LYS A 27 13.273 2.153 11.424 1.00 0.94 H new ATOM 0 HZ2 LYS A 27 12.297 1.141 10.472 1.00 0.94 H new ATOM 0 HZ3 LYS A 27 13.984 0.947 10.463 1.00 0.94 H new ATOM 425 N ILE A 28 14.984 0.858 3.037 1.00 0.30 N ATOM 426 CA ILE A 28 14.918 0.287 1.697 1.00 0.29 C ATOM 427 C ILE A 28 15.262 -1.194 1.750 1.00 0.34 C ATOM 428 O ILE A 28 14.485 -2.040 1.314 1.00 0.37 O ATOM 429 CB ILE A 28 15.896 0.974 0.714 1.00 0.29 C ATOM 430 CG1 ILE A 28 15.428 2.380 0.348 1.00 0.25 C ATOM 431 CG2 ILE A 28 16.049 0.134 -0.544 1.00 0.35 C ATOM 432 CD1 ILE A 28 16.366 3.095 -0.606 1.00 0.26 C ATOM 0 H ILE A 28 15.608 1.661 3.121 1.00 0.30 H new ATOM 0 HA ILE A 28 13.901 0.442 1.338 1.00 0.29 H new ATOM 0 HB ILE A 28 16.862 1.061 1.212 1.00 0.29 H new ATOM 0 HG12 ILE A 28 14.438 2.320 -0.104 1.00 0.25 H new ATOM 0 HG13 ILE A 28 15.327 2.971 1.259 1.00 0.25 H new ATOM 0 HG21 ILE A 28 16.739 0.627 -1.229 1.00 0.35 H new ATOM 0 HG22 ILE A 28 16.439 -0.849 -0.280 1.00 0.35 H new ATOM 0 HG23 ILE A 28 15.078 0.021 -1.026 1.00 0.35 H new ATOM 0 HD11 ILE A 28 15.975 4.088 -0.825 1.00 0.26 H new ATOM 0 HD12 ILE A 28 17.351 3.186 -0.148 1.00 0.26 H new ATOM 0 HD13 ILE A 28 16.447 2.525 -1.532 1.00 0.26 H new ATOM 444 N GLU A 29 16.434 -1.488 2.307 1.00 0.37 N ATOM 445 CA GLU A 29 16.911 -2.860 2.431 1.00 0.44 C ATOM 446 C GLU A 29 15.981 -3.676 3.317 1.00 0.43 C ATOM 447 O GLU A 29 15.748 -4.862 3.074 1.00 0.47 O ATOM 448 CB GLU A 29 18.323 -2.877 3.024 1.00 0.52 C ATOM 449 CG GLU A 29 19.312 -2.017 2.262 1.00 0.55 C ATOM 450 CD GLU A 29 19.746 -2.643 0.962 1.00 0.94 C ATOM 451 OE1 GLU A 29 18.911 -2.766 0.048 1.00 1.41 O ATOM 452 OE2 GLU A 29 20.928 -3.022 0.847 1.00 1.73 O ATOM 0 H GLU A 29 17.074 -0.788 2.682 1.00 0.37 H new ATOM 0 HA GLU A 29 16.929 -3.303 1.435 1.00 0.44 H new ATOM 0 HB2 GLU A 29 18.278 -2.535 4.058 1.00 0.52 H new ATOM 0 HB3 GLU A 29 18.687 -3.904 3.044 1.00 0.52 H new ATOM 0 HG2 GLU A 29 18.862 -1.045 2.060 1.00 0.55 H new ATOM 0 HG3 GLU A 29 20.188 -1.839 2.885 1.00 0.55 H new ATOM 459 N MET A 30 15.451 -3.025 4.338 1.00 0.41 N ATOM 460 CA MET A 30 14.553 -3.664 5.281 1.00 0.43 C ATOM 461 C MET A 30 13.266 -4.113 4.599 1.00 0.40 C ATOM 462 O MET A 30 12.716 -5.164 4.927 1.00 0.41 O ATOM 463 CB MET A 30 14.240 -2.701 6.423 1.00 0.45 C ATOM 464 CG MET A 30 13.672 -3.378 7.657 1.00 0.46 C ATOM 465 SD MET A 30 14.709 -4.717 8.262 1.00 0.63 S ATOM 466 CE MET A 30 13.646 -6.118 7.936 1.00 0.97 C ATOM 0 H MET A 30 15.631 -2.041 4.535 1.00 0.41 H new ATOM 0 HA MET A 30 15.045 -4.551 5.680 1.00 0.43 H new ATOM 0 HB2 MET A 30 15.151 -2.170 6.698 1.00 0.45 H new ATOM 0 HB3 MET A 30 13.530 -1.953 6.071 1.00 0.45 H new ATOM 0 HG2 MET A 30 13.547 -2.637 8.447 1.00 0.46 H new ATOM 0 HG3 MET A 30 12.681 -3.769 7.427 1.00 0.46 H new ATOM 0 HE1 MET A 30 13.268 -6.515 8.878 1.00 0.97 H new ATOM 0 HE2 MET A 30 12.809 -5.803 7.313 1.00 0.97 H new ATOM 0 HE3 MET A 30 14.213 -6.892 7.418 1.00 0.97 H new ATOM 476 N GLY A 31 12.794 -3.320 3.644 1.00 0.39 N ATOM 477 CA GLY A 31 11.573 -3.661 2.936 1.00 0.39 C ATOM 478 C GLY A 31 11.790 -3.995 1.469 1.00 0.43 C ATOM 479 O GLY A 31 10.898 -3.784 0.649 1.00 0.51 O ATOM 0 H GLY A 31 13.233 -2.449 3.347 1.00 0.39 H new ATOM 0 HA2 GLY A 31 11.104 -4.513 3.428 1.00 0.39 H new ATOM 0 HA3 GLY A 31 10.875 -2.827 3.010 1.00 0.39 H new ATOM 483 N ARG A 32 12.952 -4.540 1.130 1.00 0.43 N ATOM 484 CA ARG A 32 13.257 -4.879 -0.258 1.00 0.50 C ATOM 485 C ARG A 32 12.834 -6.301 -0.598 1.00 0.44 C ATOM 486 O ARG A 32 13.479 -7.266 -0.189 1.00 0.49 O ATOM 487 CB ARG A 32 14.748 -4.701 -0.551 1.00 0.60 C ATOM 488 CG ARG A 32 15.048 -3.515 -1.455 1.00 0.78 C ATOM 489 CD ARG A 32 16.518 -3.457 -1.852 1.00 0.71 C ATOM 490 NE ARG A 32 16.741 -2.634 -3.046 1.00 1.31 N ATOM 491 CZ ARG A 32 17.698 -1.706 -3.160 1.00 1.49 C ATOM 492 NH1 ARG A 32 18.542 -1.467 -2.165 1.00 1.65 N ATOM 493 NH2 ARG A 32 17.816 -1.027 -4.293 1.00 2.27 N ATOM 0 H ARG A 32 13.697 -4.757 1.792 1.00 0.43 H new ATOM 0 HA ARG A 32 12.686 -4.193 -0.884 1.00 0.50 H new ATOM 0 HB2 ARG A 32 15.283 -4.576 0.390 1.00 0.60 H new ATOM 0 HB3 ARG A 32 15.130 -5.609 -1.017 1.00 0.60 H new ATOM 0 HG2 ARG A 32 14.432 -3.578 -2.352 1.00 0.78 H new ATOM 0 HG3 ARG A 32 14.774 -2.592 -0.945 1.00 0.78 H new ATOM 0 HD2 ARG A 32 17.100 -3.055 -1.023 1.00 0.71 H new ATOM 0 HD3 ARG A 32 16.882 -4.468 -2.037 1.00 0.71 H new ATOM 0 HE ARG A 32 16.123 -2.779 -3.845 1.00 1.31 H new ATOM 0 HH11 ARG A 32 18.468 -1.995 -1.295 1.00 1.65 H new ATOM 0 HH12 ARG A 32 19.266 -0.756 -2.270 1.00 1.65 H new ATOM 0 HH21 ARG A 32 17.180 -1.214 -5.068 1.00 2.27 H new ATOM 0 HH22 ARG A 32 18.543 -0.318 -4.389 1.00 2.27 H new ATOM 507 N ASN A 33 11.736 -6.406 -1.347 1.00 0.53 N ATOM 508 CA ASN A 33 11.190 -7.694 -1.794 1.00 0.67 C ATOM 509 C ASN A 33 10.693 -8.543 -0.632 1.00 0.59 C ATOM 510 O ASN A 33 10.613 -9.769 -0.733 1.00 0.69 O ATOM 511 CB ASN A 33 12.227 -8.473 -2.606 1.00 0.80 C ATOM 512 CG ASN A 33 11.776 -8.709 -4.036 1.00 1.23 C ATOM 513 OD1 ASN A 33 11.886 -9.821 -4.559 1.00 1.72 O ATOM 514 ND2 ASN A 33 11.295 -7.659 -4.682 1.00 1.78 N ATOM 0 H ASN A 33 11.197 -5.600 -1.663 1.00 0.53 H new ATOM 0 HA ASN A 33 10.334 -7.469 -2.430 1.00 0.67 H new ATOM 0 HB2 ASN A 33 13.169 -7.925 -2.610 1.00 0.80 H new ATOM 0 HB3 ASN A 33 12.418 -9.432 -2.124 1.00 0.80 H new ATOM 0 HD21 ASN A 33 10.997 -7.750 -5.653 1.00 1.78 H new ATOM 0 HD22 ASN A 33 11.222 -6.758 -4.209 1.00 1.78 H new ATOM 521 N CYS A 34 10.342 -7.888 0.460 1.00 0.47 N ATOM 522 CA CYS A 34 9.845 -8.579 1.636 1.00 0.41 C ATOM 523 C CYS A 34 8.366 -8.924 1.454 1.00 0.41 C ATOM 524 O CYS A 34 7.620 -8.175 0.820 1.00 0.48 O ATOM 525 CB CYS A 34 10.078 -7.707 2.870 1.00 0.38 C ATOM 526 SG CYS A 34 11.789 -7.145 3.024 1.00 1.16 S ATOM 0 H CYS A 34 10.392 -6.874 0.557 1.00 0.47 H new ATOM 0 HA CYS A 34 10.384 -9.516 1.775 1.00 0.41 H new ATOM 0 HB2 CYS A 34 9.419 -6.840 2.825 1.00 0.38 H new ATOM 0 HB3 CYS A 34 9.804 -8.269 3.763 1.00 0.38 H new ATOM 0 HG CYS A 34 11.908 -6.401 4.084 1.00 1.16 H new ATOM 532 N LYS A 35 7.951 -10.060 1.997 1.00 0.39 N ATOM 533 CA LYS A 35 6.571 -10.520 1.855 1.00 0.42 C ATOM 534 C LYS A 35 5.595 -9.755 2.753 1.00 0.38 C ATOM 535 O LYS A 35 5.394 -10.099 3.918 1.00 0.40 O ATOM 536 CB LYS A 35 6.477 -12.029 2.121 1.00 0.47 C ATOM 537 CG LYS A 35 7.141 -12.484 3.413 1.00 0.48 C ATOM 538 CD LYS A 35 7.216 -13.998 3.493 1.00 1.13 C ATOM 539 CE LYS A 35 8.434 -14.536 2.763 1.00 1.64 C ATOM 540 NZ LYS A 35 8.293 -15.976 2.438 1.00 2.49 N ATOM 0 H LYS A 35 8.549 -10.683 2.541 1.00 0.39 H new ATOM 0 HA LYS A 35 6.276 -10.317 0.825 1.00 0.42 H new ATOM 0 HB2 LYS A 35 5.426 -12.316 2.147 1.00 0.47 H new ATOM 0 HB3 LYS A 35 6.932 -12.562 1.286 1.00 0.47 H new ATOM 0 HG2 LYS A 35 8.145 -12.065 3.475 1.00 0.48 H new ATOM 0 HG3 LYS A 35 6.582 -12.100 4.266 1.00 0.48 H new ATOM 0 HD2 LYS A 35 7.251 -14.307 4.538 1.00 1.13 H new ATOM 0 HD3 LYS A 35 6.313 -14.431 3.063 1.00 1.13 H new ATOM 0 HE2 LYS A 35 8.586 -13.970 1.844 1.00 1.64 H new ATOM 0 HE3 LYS A 35 9.321 -14.388 3.379 1.00 1.64 H new ATOM 0 HZ1 LYS A 35 9.145 -16.305 1.940 1.00 2.49 H new ATOM 0 HZ2 LYS A 35 8.174 -16.520 3.316 1.00 2.49 H new ATOM 0 HZ3 LYS A 35 7.461 -16.115 1.829 1.00 2.49 H new ATOM 554 N ILE A 36 4.999 -8.708 2.199 1.00 0.36 N ATOM 555 CA ILE A 36 4.027 -7.900 2.925 1.00 0.34 C ATOM 556 C ILE A 36 2.635 -8.496 2.774 1.00 0.33 C ATOM 557 O ILE A 36 2.207 -8.798 1.659 1.00 0.41 O ATOM 558 CB ILE A 36 3.979 -6.442 2.410 1.00 0.41 C ATOM 559 CG1 ILE A 36 5.386 -5.913 2.115 1.00 0.65 C ATOM 560 CG2 ILE A 36 3.269 -5.546 3.413 1.00 0.32 C ATOM 561 CD1 ILE A 36 6.306 -5.905 3.316 1.00 0.66 C ATOM 0 H ILE A 36 5.173 -8.396 1.243 1.00 0.36 H new ATOM 0 HA ILE A 36 4.340 -7.896 3.969 1.00 0.34 H new ATOM 0 HB ILE A 36 3.416 -6.433 1.477 1.00 0.41 H new ATOM 0 HG12 ILE A 36 5.835 -6.522 1.331 1.00 0.65 H new ATOM 0 HG13 ILE A 36 5.307 -4.898 1.724 1.00 0.65 H new ATOM 0 HG21 ILE A 36 3.244 -4.524 3.034 1.00 0.32 H new ATOM 0 HG22 ILE A 36 2.250 -5.902 3.562 1.00 0.32 H new ATOM 0 HG23 ILE A 36 3.803 -5.568 4.363 1.00 0.32 H new ATOM 0 HD11 ILE A 36 7.282 -5.517 3.024 1.00 0.66 H new ATOM 0 HD12 ILE A 36 5.882 -5.272 4.095 1.00 0.66 H new ATOM 0 HD13 ILE A 36 6.418 -6.921 3.695 1.00 0.66 H new ATOM 573 N VAL A 37 1.941 -8.679 3.885 1.00 0.29 N ATOM 574 CA VAL A 37 0.593 -9.223 3.847 1.00 0.29 C ATOM 575 C VAL A 37 -0.415 -8.099 4.027 1.00 0.30 C ATOM 576 O VAL A 37 -0.241 -7.240 4.886 1.00 0.37 O ATOM 577 CB VAL A 37 0.346 -10.294 4.933 1.00 0.29 C ATOM 578 CG1 VAL A 37 -0.918 -11.092 4.627 1.00 0.31 C ATOM 579 CG2 VAL A 37 1.550 -11.217 5.068 1.00 0.32 C ATOM 0 H VAL A 37 2.286 -8.460 4.820 1.00 0.29 H new ATOM 0 HA VAL A 37 0.474 -9.704 2.876 1.00 0.29 H new ATOM 0 HB VAL A 37 0.203 -9.784 5.886 1.00 0.29 H new ATOM 0 HG11 VAL A 37 -1.073 -11.840 5.404 1.00 0.31 H new ATOM 0 HG12 VAL A 37 -1.775 -10.419 4.596 1.00 0.31 H new ATOM 0 HG13 VAL A 37 -0.811 -11.588 3.662 1.00 0.31 H new ATOM 0 HG21 VAL A 37 1.352 -11.962 5.838 1.00 0.32 H new ATOM 0 HG22 VAL A 37 1.733 -11.718 4.117 1.00 0.32 H new ATOM 0 HG23 VAL A 37 2.427 -10.632 5.345 1.00 0.32 H new ATOM 589 N THR A 38 -1.449 -8.102 3.207 1.00 0.25 N ATOM 590 CA THR A 38 -2.486 -7.086 3.274 1.00 0.26 C ATOM 591 C THR A 38 -3.842 -7.729 3.560 1.00 0.24 C ATOM 592 O THR A 38 -4.393 -8.418 2.708 1.00 0.23 O ATOM 593 CB THR A 38 -2.577 -6.315 1.941 1.00 0.27 C ATOM 594 OG1 THR A 38 -1.288 -5.792 1.591 1.00 0.33 O ATOM 595 CG2 THR A 38 -3.598 -5.188 2.016 1.00 0.30 C ATOM 0 H THR A 38 -1.595 -8.803 2.480 1.00 0.25 H new ATOM 0 HA THR A 38 -2.227 -6.397 4.078 1.00 0.26 H new ATOM 0 HB THR A 38 -2.907 -7.011 1.170 1.00 0.27 H new ATOM 0 HG1 THR A 38 -1.352 -5.305 0.743 1.00 0.33 H new ATOM 0 HG21 THR A 38 -3.635 -4.667 1.060 1.00 0.30 H new ATOM 0 HG22 THR A 38 -4.581 -5.602 2.242 1.00 0.30 H new ATOM 0 HG23 THR A 38 -3.310 -4.488 2.800 1.00 0.30 H new ATOM 603 N GLU A 39 -4.363 -7.542 4.763 1.00 0.25 N ATOM 604 CA GLU A 39 -5.659 -8.111 5.115 1.00 0.25 C ATOM 605 C GLU A 39 -6.752 -7.065 4.951 1.00 0.24 C ATOM 606 O GLU A 39 -6.757 -6.048 5.648 1.00 0.28 O ATOM 607 CB GLU A 39 -5.648 -8.650 6.543 1.00 0.28 C ATOM 608 CG GLU A 39 -4.471 -9.562 6.838 1.00 0.38 C ATOM 609 CD GLU A 39 -4.618 -10.290 8.159 1.00 0.66 C ATOM 610 OE1 GLU A 39 -4.570 -9.627 9.218 1.00 1.24 O ATOM 611 OE2 GLU A 39 -4.770 -11.530 8.145 1.00 1.39 O ATOM 0 H GLU A 39 -3.915 -7.007 5.507 1.00 0.25 H new ATOM 0 HA GLU A 39 -5.863 -8.943 4.441 1.00 0.25 H new ATOM 0 HB2 GLU A 39 -5.631 -7.811 7.239 1.00 0.28 H new ATOM 0 HB3 GLU A 39 -6.574 -9.195 6.724 1.00 0.28 H new ATOM 0 HG2 GLU A 39 -4.370 -10.291 6.034 1.00 0.38 H new ATOM 0 HG3 GLU A 39 -3.554 -8.973 6.851 1.00 0.38 H new ATOM 618 N VAL A 40 -7.667 -7.322 4.020 1.00 0.20 N ATOM 619 CA VAL A 40 -8.759 -6.403 3.733 1.00 0.20 C ATOM 620 C VAL A 40 -10.112 -6.973 4.151 1.00 0.21 C ATOM 621 O VAL A 40 -10.456 -8.102 3.804 1.00 0.20 O ATOM 622 CB VAL A 40 -8.821 -6.085 2.226 1.00 0.20 C ATOM 623 CG1 VAL A 40 -9.926 -5.087 1.927 1.00 0.22 C ATOM 624 CG2 VAL A 40 -7.480 -5.567 1.729 1.00 0.22 C ATOM 0 H VAL A 40 -7.671 -8.167 3.449 1.00 0.20 H new ATOM 0 HA VAL A 40 -8.559 -5.498 4.307 1.00 0.20 H new ATOM 0 HB VAL A 40 -9.048 -7.010 1.695 1.00 0.20 H new ATOM 0 HG11 VAL A 40 -9.949 -4.879 0.857 1.00 0.22 H new ATOM 0 HG12 VAL A 40 -10.885 -5.502 2.237 1.00 0.22 H new ATOM 0 HG13 VAL A 40 -9.738 -4.162 2.472 1.00 0.22 H new ATOM 0 HG21 VAL A 40 -7.547 -5.349 0.663 1.00 0.22 H new ATOM 0 HG22 VAL A 40 -7.218 -4.658 2.270 1.00 0.22 H new ATOM 0 HG23 VAL A 40 -6.713 -6.323 1.898 1.00 0.22 H new ATOM 634 N VAL A 41 -10.866 -6.185 4.900 1.00 0.24 N ATOM 635 CA VAL A 41 -12.199 -6.567 5.337 1.00 0.27 C ATOM 636 C VAL A 41 -13.195 -5.559 4.771 1.00 0.29 C ATOM 637 O VAL A 41 -12.962 -4.358 4.837 1.00 0.31 O ATOM 638 CB VAL A 41 -12.299 -6.622 6.878 1.00 0.31 C ATOM 639 CG1 VAL A 41 -13.734 -6.867 7.319 1.00 0.70 C ATOM 640 CG2 VAL A 41 -11.379 -7.699 7.431 1.00 0.95 C ATOM 0 H VAL A 41 -10.572 -5.263 5.222 1.00 0.24 H new ATOM 0 HA VAL A 41 -12.424 -7.568 4.970 1.00 0.27 H new ATOM 0 HB VAL A 41 -11.982 -5.658 7.275 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -13.779 -6.902 8.408 1.00 0.70 H new ATOM 0 HG12 VAL A 41 -14.369 -6.060 6.955 1.00 0.70 H new ATOM 0 HG13 VAL A 41 -14.083 -7.816 6.911 1.00 0.70 H new ATOM 0 HG21 VAL A 41 -11.461 -7.725 8.518 1.00 0.95 H new ATOM 0 HG22 VAL A 41 -11.666 -8.668 7.022 1.00 0.95 H new ATOM 0 HG23 VAL A 41 -10.349 -7.477 7.150 1.00 0.95 H new ATOM 650 N GLN A 42 -14.292 -6.034 4.198 1.00 0.31 N ATOM 651 CA GLN A 42 -15.259 -5.128 3.594 1.00 0.36 C ATOM 652 C GLN A 42 -16.510 -4.953 4.441 1.00 0.30 C ATOM 653 O GLN A 42 -17.220 -5.922 4.726 1.00 0.42 O ATOM 654 CB GLN A 42 -15.645 -5.617 2.192 1.00 0.53 C ATOM 655 CG GLN A 42 -16.299 -4.542 1.336 1.00 1.14 C ATOM 656 CD GLN A 42 -17.798 -4.713 1.204 1.00 1.35 C ATOM 657 OE1 GLN A 42 -18.562 -4.321 2.084 1.00 2.06 O ATOM 658 NE2 GLN A 42 -18.231 -5.282 0.091 1.00 1.59 N ATOM 0 H GLN A 42 -14.532 -7.023 4.139 1.00 0.31 H new ATOM 0 HA GLN A 42 -14.775 -4.154 3.526 1.00 0.36 H new ATOM 0 HB2 GLN A 42 -14.752 -5.982 1.684 1.00 0.53 H new ATOM 0 HB3 GLN A 42 -16.327 -6.462 2.285 1.00 0.53 H new ATOM 0 HG2 GLN A 42 -16.088 -3.564 1.769 1.00 1.14 H new ATOM 0 HG3 GLN A 42 -15.850 -4.554 0.343 1.00 1.14 H new ATOM 0 HE21 GLN A 42 -17.564 -5.594 -0.615 1.00 1.59 H new ATOM 0 HE22 GLN A 42 -19.232 -5.409 -0.061 1.00 1.59 H new ATOM 667 N ASN A 43 -16.770 -3.718 4.858 1.00 0.30 N ATOM 668 CA ASN A 43 -17.963 -3.398 5.618 1.00 0.37 C ATOM 669 C ASN A 43 -18.603 -2.130 5.049 1.00 0.34 C ATOM 670 O ASN A 43 -18.510 -1.035 5.603 1.00 0.37 O ATOM 671 CB ASN A 43 -17.662 -3.281 7.122 1.00 0.53 C ATOM 672 CG ASN A 43 -16.716 -2.149 7.499 1.00 0.97 C ATOM 673 OD1 ASN A 43 -17.157 -1.092 7.958 1.00 1.44 O ATOM 674 ND2 ASN A 43 -15.421 -2.357 7.331 1.00 1.73 N ATOM 0 H ASN A 43 -16.162 -2.919 4.678 1.00 0.30 H new ATOM 0 HA ASN A 43 -18.679 -4.214 5.520 1.00 0.37 H new ATOM 0 HB2 ASN A 43 -18.602 -3.143 7.656 1.00 0.53 H new ATOM 0 HB3 ASN A 43 -17.235 -4.223 7.467 1.00 0.53 H new ATOM 0 HD21 ASN A 43 -14.751 -1.631 7.584 1.00 1.73 H new ATOM 0 HD22 ASN A 43 -15.092 -3.244 6.949 1.00 1.73 H new ATOM 681 N GLY A 44 -19.246 -2.301 3.898 1.00 0.35 N ATOM 682 CA GLY A 44 -19.906 -1.199 3.224 1.00 0.37 C ATOM 683 C GLY A 44 -18.951 -0.449 2.327 1.00 0.34 C ATOM 684 O GLY A 44 -18.521 -0.960 1.292 1.00 0.40 O ATOM 0 H GLY A 44 -19.321 -3.196 3.415 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -20.740 -1.579 2.633 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -20.324 -0.516 3.964 1.00 0.37 H new ATOM 688 N ASN A 45 -18.611 0.764 2.728 1.00 0.31 N ATOM 689 CA ASN A 45 -17.679 1.583 1.967 1.00 0.29 C ATOM 690 C ASN A 45 -16.415 1.813 2.775 1.00 0.28 C ATOM 691 O ASN A 45 -15.592 2.671 2.440 1.00 0.29 O ATOM 692 CB ASN A 45 -18.323 2.916 1.571 1.00 0.32 C ATOM 693 CG ASN A 45 -18.539 3.015 0.076 1.00 0.38 C ATOM 694 OD1 ASN A 45 -18.468 4.094 -0.508 1.00 0.41 O ATOM 695 ND2 ASN A 45 -18.806 1.885 -0.553 1.00 0.43 N ATOM 0 H ASN A 45 -18.966 1.205 3.577 1.00 0.31 H new ATOM 0 HA ASN A 45 -17.417 1.055 1.050 1.00 0.29 H new ATOM 0 HB2 ASN A 45 -19.279 3.024 2.084 1.00 0.32 H new ATOM 0 HB3 ASN A 45 -17.689 3.738 1.902 1.00 0.32 H new ATOM 0 HD21 ASN A 45 -18.962 1.887 -1.561 1.00 0.43 H new ATOM 0 HD22 ASN A 45 -18.856 1.010 -0.031 1.00 0.43 H new ATOM 702 N ASP A 46 -16.268 1.034 3.839 1.00 0.30 N ATOM 703 CA ASP A 46 -15.101 1.122 4.704 1.00 0.29 C ATOM 704 C ASP A 46 -14.222 -0.108 4.509 1.00 0.28 C ATOM 705 O ASP A 46 -14.623 -1.227 4.827 1.00 0.36 O ATOM 706 CB ASP A 46 -15.533 1.250 6.170 1.00 0.33 C ATOM 707 CG ASP A 46 -14.365 1.279 7.136 1.00 0.61 C ATOM 708 OD1 ASP A 46 -13.850 2.386 7.420 1.00 1.36 O ATOM 709 OD2 ASP A 46 -13.977 0.204 7.641 1.00 1.29 O ATOM 0 H ASP A 46 -16.948 0.330 4.124 1.00 0.30 H new ATOM 0 HA ASP A 46 -14.527 2.010 4.439 1.00 0.29 H new ATOM 0 HB2 ASP A 46 -16.119 2.161 6.291 1.00 0.33 H new ATOM 0 HB3 ASP A 46 -16.186 0.415 6.424 1.00 0.33 H new ATOM 714 N PHE A 47 -13.046 0.096 3.932 1.00 0.23 N ATOM 715 CA PHE A 47 -12.111 -0.994 3.700 1.00 0.23 C ATOM 716 C PHE A 47 -10.917 -0.881 4.633 1.00 0.23 C ATOM 717 O PHE A 47 -10.399 0.213 4.868 1.00 0.24 O ATOM 718 CB PHE A 47 -11.633 -0.987 2.248 1.00 0.25 C ATOM 719 CG PHE A 47 -12.728 -1.246 1.253 1.00 0.26 C ATOM 720 CD1 PHE A 47 -13.594 -0.229 0.871 1.00 0.81 C ATOM 721 CD2 PHE A 47 -12.895 -2.506 0.704 1.00 0.97 C ATOM 722 CE1 PHE A 47 -14.603 -0.468 -0.039 1.00 0.82 C ATOM 723 CE2 PHE A 47 -13.904 -2.747 -0.207 1.00 1.00 C ATOM 724 CZ PHE A 47 -14.759 -1.728 -0.578 1.00 0.34 C ATOM 0 H PHE A 47 -12.717 1.008 3.616 1.00 0.23 H new ATOM 0 HA PHE A 47 -12.628 -1.933 3.900 1.00 0.23 H new ATOM 0 HB2 PHE A 47 -11.176 -0.022 2.029 1.00 0.25 H new ATOM 0 HB3 PHE A 47 -10.857 -1.742 2.126 1.00 0.25 H new ATOM 0 HD1 PHE A 47 -13.476 0.759 1.291 1.00 0.81 H new ATOM 0 HD2 PHE A 47 -12.230 -3.307 0.991 1.00 0.97 H new ATOM 0 HE1 PHE A 47 -15.270 0.330 -0.329 1.00 0.82 H new ATOM 0 HE2 PHE A 47 -14.025 -3.733 -0.630 1.00 1.00 H new ATOM 0 HZ PHE A 47 -15.549 -1.917 -1.290 1.00 0.34 H new ATOM 734 N THR A 48 -10.493 -2.005 5.177 1.00 0.26 N ATOM 735 CA THR A 48 -9.356 -2.025 6.071 1.00 0.27 C ATOM 736 C THR A 48 -8.114 -2.514 5.347 1.00 0.28 C ATOM 737 O THR A 48 -8.180 -3.431 4.528 1.00 0.38 O ATOM 738 CB THR A 48 -9.613 -2.923 7.296 1.00 0.29 C ATOM 739 OG1 THR A 48 -10.163 -4.180 6.880 1.00 0.53 O ATOM 740 CG2 THR A 48 -10.557 -2.244 8.275 1.00 0.56 C ATOM 0 H THR A 48 -10.921 -2.917 5.014 1.00 0.26 H new ATOM 0 HA THR A 48 -9.201 -1.002 6.415 1.00 0.27 H new ATOM 0 HB THR A 48 -8.661 -3.097 7.797 1.00 0.29 H new ATOM 0 HG1 THR A 48 -9.438 -4.824 6.738 1.00 0.53 H new ATOM 0 HG21 THR A 48 -10.724 -2.897 9.132 1.00 0.56 H new ATOM 0 HG22 THR A 48 -10.117 -1.306 8.614 1.00 0.56 H new ATOM 0 HG23 THR A 48 -11.508 -2.042 7.783 1.00 0.56 H new ATOM 748 N TRP A 49 -6.993 -1.885 5.639 1.00 0.23 N ATOM 749 CA TRP A 49 -5.730 -2.266 5.038 1.00 0.23 C ATOM 750 C TRP A 49 -4.758 -2.640 6.144 1.00 0.23 C ATOM 751 O TRP A 49 -4.170 -1.772 6.793 1.00 0.24 O ATOM 752 CB TRP A 49 -5.163 -1.112 4.204 1.00 0.25 C ATOM 753 CG TRP A 49 -4.808 -1.488 2.793 1.00 0.28 C ATOM 754 CD1 TRP A 49 -3.556 -1.558 2.260 1.00 0.34 C ATOM 755 CD2 TRP A 49 -5.711 -1.831 1.736 1.00 0.30 C ATOM 756 NE1 TRP A 49 -3.625 -1.927 0.939 1.00 0.38 N ATOM 757 CE2 TRP A 49 -4.934 -2.104 0.594 1.00 0.36 C ATOM 758 CE3 TRP A 49 -7.094 -1.935 1.646 1.00 0.32 C ATOM 759 CZ2 TRP A 49 -5.500 -2.475 -0.621 1.00 0.41 C ATOM 760 CZ3 TRP A 49 -7.658 -2.307 0.441 1.00 0.38 C ATOM 761 CH2 TRP A 49 -6.860 -2.575 -0.680 1.00 0.42 C ATOM 0 H TRP A 49 -6.931 -1.104 6.292 1.00 0.23 H new ATOM 0 HA TRP A 49 -5.883 -3.118 4.376 1.00 0.23 H new ATOM 0 HB2 TRP A 49 -5.893 -0.303 4.180 1.00 0.25 H new ATOM 0 HB3 TRP A 49 -4.273 -0.723 4.699 1.00 0.25 H new ATOM 0 HD1 TRP A 49 -2.642 -1.353 2.798 1.00 0.34 H new ATOM 0 HE1 TRP A 49 -2.827 -2.049 0.316 1.00 0.38 H new ATOM 0 HE3 TRP A 49 -7.717 -1.729 2.504 1.00 0.32 H new ATOM 0 HZ2 TRP A 49 -4.886 -2.677 -1.486 1.00 0.41 H new ATOM 0 HZ3 TRP A 49 -8.732 -2.393 0.361 1.00 0.38 H new ATOM 0 HH2 TRP A 49 -7.330 -2.866 -1.608 1.00 0.42 H new ATOM 772 N THR A 50 -4.602 -3.932 6.363 1.00 0.22 N ATOM 773 CA THR A 50 -3.705 -4.426 7.394 1.00 0.24 C ATOM 774 C THR A 50 -2.429 -4.959 6.778 1.00 0.25 C ATOM 775 O THR A 50 -2.430 -6.019 6.150 1.00 0.35 O ATOM 776 CB THR A 50 -4.369 -5.533 8.224 1.00 0.26 C ATOM 777 OG1 THR A 50 -5.697 -5.138 8.584 1.00 0.27 O ATOM 778 CG2 THR A 50 -3.561 -5.834 9.478 1.00 0.28 C ATOM 0 H THR A 50 -5.086 -4.662 5.840 1.00 0.22 H new ATOM 0 HA THR A 50 -3.469 -3.589 8.051 1.00 0.24 H new ATOM 0 HB THR A 50 -4.410 -6.438 7.618 1.00 0.26 H new ATOM 0 HG1 THR A 50 -6.306 -5.319 7.838 1.00 0.27 H new ATOM 0 HG21 THR A 50 -4.054 -6.622 10.048 1.00 0.28 H new ATOM 0 HG22 THR A 50 -2.560 -6.162 9.196 1.00 0.28 H new ATOM 0 HG23 THR A 50 -3.490 -4.934 10.089 1.00 0.28 H new ATOM 786 N GLN A 51 -1.341 -4.231 6.978 1.00 0.22 N ATOM 787 CA GLN A 51 -0.059 -4.606 6.407 1.00 0.23 C ATOM 788 C GLN A 51 0.814 -5.312 7.433 1.00 0.22 C ATOM 789 O GLN A 51 1.164 -4.741 8.465 1.00 0.24 O ATOM 790 CB GLN A 51 0.673 -3.374 5.877 1.00 0.27 C ATOM 791 CG GLN A 51 -0.190 -2.465 5.018 1.00 0.56 C ATOM 792 CD GLN A 51 -0.973 -3.215 3.961 1.00 0.71 C ATOM 793 OE1 GLN A 51 -2.124 -3.572 4.172 1.00 1.62 O ATOM 794 NE2 GLN A 51 -0.356 -3.458 2.817 1.00 0.82 N ATOM 0 H GLN A 51 -1.322 -3.375 7.533 1.00 0.22 H new ATOM 0 HA GLN A 51 -0.254 -5.292 5.583 1.00 0.23 H new ATOM 0 HB2 GLN A 51 1.058 -2.802 6.721 1.00 0.27 H new ATOM 0 HB3 GLN A 51 1.534 -3.699 5.293 1.00 0.27 H new ATOM 0 HG2 GLN A 51 -0.884 -1.921 5.659 1.00 0.56 H new ATOM 0 HG3 GLN A 51 0.445 -1.723 4.533 1.00 0.56 H new ATOM 0 HE21 GLN A 51 0.605 -3.144 2.679 1.00 0.82 H new ATOM 0 HE22 GLN A 51 -0.841 -3.959 2.073 1.00 0.82 H new ATOM 803 N HIS A 52 1.169 -6.551 7.136 1.00 0.22 N ATOM 804 CA HIS A 52 2.003 -7.337 8.023 1.00 0.23 C ATOM 805 C HIS A 52 3.395 -7.472 7.460 1.00 0.23 C ATOM 806 O HIS A 52 3.588 -7.973 6.348 1.00 0.26 O ATOM 807 CB HIS A 52 1.411 -8.727 8.251 1.00 0.24 C ATOM 808 CG HIS A 52 0.115 -8.730 8.996 1.00 0.26 C ATOM 809 ND1 HIS A 52 0.072 -8.573 10.361 1.00 0.34 N ATOM 810 CD2 HIS A 52 -1.146 -8.887 8.529 1.00 0.32 C ATOM 811 CE1 HIS A 52 -1.205 -8.641 10.692 1.00 0.37 C ATOM 812 NE2 HIS A 52 -1.978 -8.827 9.614 1.00 0.35 N ATOM 0 H HIS A 52 0.890 -7.034 6.282 1.00 0.22 H new ATOM 0 HA HIS A 52 2.048 -6.815 8.979 1.00 0.23 H new ATOM 0 HB2 HIS A 52 1.262 -9.208 7.285 1.00 0.24 H new ATOM 0 HB3 HIS A 52 2.133 -9.331 8.800 1.00 0.24 H new ATOM 0 HD2 HIS A 52 -1.439 -9.032 7.500 1.00 0.32 H new ATOM 0 HE1 HIS A 52 -1.578 -8.557 11.702 1.00 0.37 H new ATOM 0 HE2 HIS A 52 -2.995 -8.909 9.604 1.00 0.35 H new ATOM 820 N PHE A 53 4.352 -7.004 8.231 1.00 0.25 N ATOM 821 CA PHE A 53 5.740 -7.066 7.844 1.00 0.27 C ATOM 822 C PHE A 53 6.354 -8.372 8.338 1.00 0.31 C ATOM 823 O PHE A 53 6.205 -8.726 9.511 1.00 0.34 O ATOM 824 CB PHE A 53 6.487 -5.875 8.437 1.00 0.24 C ATOM 825 CG PHE A 53 7.747 -5.551 7.707 1.00 0.26 C ATOM 826 CD1 PHE A 53 7.738 -5.459 6.331 1.00 1.20 C ATOM 827 CD2 PHE A 53 8.933 -5.343 8.386 1.00 1.13 C ATOM 828 CE1 PHE A 53 8.895 -5.168 5.638 1.00 1.23 C ATOM 829 CE2 PHE A 53 10.093 -5.050 7.701 1.00 1.13 C ATOM 830 CZ PHE A 53 10.075 -4.964 6.324 1.00 0.34 C ATOM 0 H PHE A 53 4.189 -6.572 9.140 1.00 0.25 H new ATOM 0 HA PHE A 53 5.818 -7.030 6.757 1.00 0.27 H new ATOM 0 HB2 PHE A 53 5.834 -5.003 8.427 1.00 0.24 H new ATOM 0 HB3 PHE A 53 6.722 -6.085 9.480 1.00 0.24 H new ATOM 0 HD1 PHE A 53 6.816 -5.616 5.791 1.00 1.20 H new ATOM 0 HD2 PHE A 53 8.951 -5.411 9.464 1.00 1.13 H new ATOM 0 HE1 PHE A 53 8.877 -5.100 4.560 1.00 1.23 H new ATOM 0 HE2 PHE A 53 11.014 -4.888 8.241 1.00 1.13 H new ATOM 0 HZ PHE A 53 10.983 -4.737 5.784 1.00 0.34 H new ATOM 840 N PRO A 54 7.041 -9.117 7.455 1.00 0.35 N ATOM 841 CA PRO A 54 7.666 -10.390 7.826 1.00 0.41 C ATOM 842 C PRO A 54 8.674 -10.221 8.956 1.00 0.39 C ATOM 843 O PRO A 54 9.707 -9.568 8.789 1.00 0.37 O ATOM 844 CB PRO A 54 8.373 -10.837 6.544 1.00 0.46 C ATOM 845 CG PRO A 54 8.447 -9.626 5.677 1.00 0.45 C ATOM 846 CD PRO A 54 7.267 -8.780 6.040 1.00 0.39 C ATOM 0 HA PRO A 54 6.935 -11.111 8.192 1.00 0.41 H new ATOM 0 HB2 PRO A 54 9.369 -11.224 6.761 1.00 0.46 H new ATOM 0 HB3 PRO A 54 7.821 -11.637 6.052 1.00 0.46 H new ATOM 0 HG2 PRO A 54 9.379 -9.085 5.842 1.00 0.45 H new ATOM 0 HG3 PRO A 54 8.420 -9.900 4.622 1.00 0.45 H new ATOM 0 HD2 PRO A 54 7.475 -7.718 5.906 1.00 0.39 H new ATOM 0 HD3 PRO A 54 6.398 -9.014 5.425 1.00 0.39 H new ATOM 854 N GLY A 55 8.368 -10.821 10.101 1.00 0.43 N ATOM 855 CA GLY A 55 9.237 -10.722 11.256 1.00 0.46 C ATOM 856 C GLY A 55 9.396 -9.287 11.720 1.00 0.41 C ATOM 857 O GLY A 55 10.420 -8.925 12.302 1.00 0.43 O ATOM 0 H GLY A 55 7.526 -11.378 10.249 1.00 0.43 H new ATOM 0 HA2 GLY A 55 8.831 -11.324 12.069 1.00 0.46 H new ATOM 0 HA3 GLY A 55 10.215 -11.135 11.011 1.00 0.46 H new ATOM 861 N GLY A 56 8.390 -8.466 11.446 1.00 0.37 N ATOM 862 CA GLY A 56 8.450 -7.079 11.841 1.00 0.34 C ATOM 863 C GLY A 56 7.146 -6.587 12.424 1.00 0.35 C ATOM 864 O GLY A 56 6.254 -7.379 12.733 1.00 0.41 O ATOM 0 H GLY A 56 7.537 -8.739 10.958 1.00 0.37 H new ATOM 0 HA2 GLY A 56 9.245 -6.948 12.575 1.00 0.34 H new ATOM 0 HA3 GLY A 56 8.711 -6.469 10.976 1.00 0.34 H new ATOM 868 N ARG A 57 7.039 -5.280 12.573 1.00 0.34 N ATOM 869 CA ARG A 57 5.848 -4.652 13.125 1.00 0.38 C ATOM 870 C ARG A 57 4.732 -4.586 12.085 1.00 0.31 C ATOM 871 O ARG A 57 4.997 -4.437 10.894 1.00 0.28 O ATOM 872 CB ARG A 57 6.191 -3.251 13.633 1.00 0.45 C ATOM 873 CG ARG A 57 6.733 -2.317 12.562 1.00 0.43 C ATOM 874 CD ARG A 57 5.647 -1.386 12.055 1.00 0.53 C ATOM 875 NE ARG A 57 5.418 -0.274 12.974 1.00 1.58 N ATOM 876 CZ ARG A 57 4.406 0.583 12.876 1.00 2.33 C ATOM 877 NH1 ARG A 57 3.517 0.471 11.901 1.00 2.27 N ATOM 878 NH2 ARG A 57 4.272 1.563 13.755 1.00 3.34 N ATOM 0 H ARG A 57 7.774 -4.622 12.315 1.00 0.34 H new ATOM 0 HA ARG A 57 5.491 -5.256 13.959 1.00 0.38 H new ATOM 0 HB2 ARG A 57 5.297 -2.806 14.070 1.00 0.45 H new ATOM 0 HB3 ARG A 57 6.927 -3.336 14.432 1.00 0.45 H new ATOM 0 HG2 ARG A 57 7.559 -1.732 12.968 1.00 0.43 H new ATOM 0 HG3 ARG A 57 7.133 -2.901 11.733 1.00 0.43 H new ATOM 0 HD2 ARG A 57 5.928 -0.997 11.076 1.00 0.53 H new ATOM 0 HD3 ARG A 57 4.721 -1.945 11.922 1.00 0.53 H new ATOM 0 HE ARG A 57 6.078 -0.146 13.741 1.00 1.58 H new ATOM 0 HH11 ARG A 57 3.604 -0.279 11.215 1.00 2.27 H new ATOM 0 HH12 ARG A 57 2.745 1.134 11.836 1.00 2.27 H new ATOM 0 HH21 ARG A 57 4.947 1.664 14.513 1.00 3.34 H new ATOM 0 HH22 ARG A 57 3.494 2.217 13.675 1.00 3.34 H new ATOM 892 N THR A 58 3.493 -4.697 12.533 1.00 0.36 N ATOM 893 CA THR A 58 2.353 -4.645 11.639 1.00 0.31 C ATOM 894 C THR A 58 1.744 -3.241 11.634 1.00 0.28 C ATOM 895 O THR A 58 1.982 -2.449 12.548 1.00 0.33 O ATOM 896 CB THR A 58 1.287 -5.688 12.036 1.00 0.35 C ATOM 897 OG1 THR A 58 0.270 -5.776 11.034 1.00 0.34 O ATOM 898 CG2 THR A 58 0.654 -5.350 13.377 1.00 0.39 C ATOM 0 H THR A 58 3.252 -4.824 13.516 1.00 0.36 H new ATOM 0 HA THR A 58 2.702 -4.882 10.634 1.00 0.31 H new ATOM 0 HB THR A 58 1.790 -6.651 12.124 1.00 0.35 H new ATOM 0 HG1 THR A 58 0.257 -6.682 10.660 1.00 0.34 H new ATOM 0 HG21 THR A 58 -0.092 -6.104 13.627 1.00 0.39 H new ATOM 0 HG22 THR A 58 1.424 -5.331 14.148 1.00 0.39 H new ATOM 0 HG23 THR A 58 0.176 -4.372 13.318 1.00 0.39 H new ATOM 906 N THR A 59 0.979 -2.932 10.596 1.00 0.25 N ATOM 907 CA THR A 59 0.358 -1.627 10.462 1.00 0.27 C ATOM 908 C THR A 59 -1.056 -1.754 9.901 1.00 0.24 C ATOM 909 O THR A 59 -1.243 -2.137 8.746 1.00 0.36 O ATOM 910 CB THR A 59 1.200 -0.725 9.546 1.00 0.32 C ATOM 911 OG1 THR A 59 2.592 -1.049 9.697 1.00 0.49 O ATOM 912 CG2 THR A 59 0.978 0.734 9.885 1.00 0.48 C ATOM 0 H THR A 59 0.774 -3.574 9.831 1.00 0.25 H new ATOM 0 HA THR A 59 0.302 -1.177 11.453 1.00 0.27 H new ATOM 0 HB THR A 59 0.894 -0.894 8.513 1.00 0.32 H new ATOM 0 HG1 THR A 59 3.139 -0.306 9.365 1.00 0.49 H new ATOM 0 HG21 THR A 59 1.583 1.357 9.226 1.00 0.48 H new ATOM 0 HG22 THR A 59 -0.075 0.982 9.753 1.00 0.48 H new ATOM 0 HG23 THR A 59 1.267 0.915 10.920 1.00 0.48 H new ATOM 920 N THR A 60 -2.050 -1.450 10.721 1.00 0.26 N ATOM 921 CA THR A 60 -3.434 -1.543 10.293 1.00 0.23 C ATOM 922 C THR A 60 -4.039 -0.162 10.049 1.00 0.22 C ATOM 923 O THR A 60 -3.927 0.737 10.887 1.00 0.26 O ATOM 924 CB THR A 60 -4.280 -2.294 11.338 1.00 0.25 C ATOM 925 OG1 THR A 60 -3.536 -3.403 11.865 1.00 0.31 O ATOM 926 CG2 THR A 60 -5.575 -2.794 10.717 1.00 0.24 C ATOM 0 H THR A 60 -1.923 -1.138 11.684 1.00 0.26 H new ATOM 0 HA THR A 60 -3.443 -2.097 9.355 1.00 0.23 H new ATOM 0 HB THR A 60 -4.523 -1.605 12.147 1.00 0.25 H new ATOM 0 HG1 THR A 60 -4.079 -3.875 12.530 1.00 0.31 H new ATOM 0 HG21 THR A 60 -6.160 -3.322 11.470 1.00 0.24 H new ATOM 0 HG22 THR A 60 -6.149 -1.947 10.340 1.00 0.24 H new ATOM 0 HG23 THR A 60 -5.346 -3.472 9.895 1.00 0.24 H new ATOM 934 N ASN A 61 -4.663 0.004 8.889 1.00 0.25 N ATOM 935 CA ASN A 61 -5.309 1.261 8.527 1.00 0.26 C ATOM 936 C ASN A 61 -6.753 0.993 8.152 1.00 0.29 C ATOM 937 O ASN A 61 -7.074 -0.069 7.622 1.00 0.51 O ATOM 938 CB ASN A 61 -4.613 1.943 7.337 1.00 0.36 C ATOM 939 CG ASN A 61 -3.104 2.027 7.477 1.00 0.87 C ATOM 940 OD1 ASN A 61 -2.574 3.019 7.966 1.00 1.43 O ATOM 941 ND2 ASN A 61 -2.405 0.991 7.042 1.00 1.72 N ATOM 0 H ASN A 61 -4.736 -0.723 8.177 1.00 0.25 H new ATOM 0 HA ASN A 61 -5.245 1.925 9.389 1.00 0.26 H new ATOM 0 HB2 ASN A 61 -4.854 1.397 6.425 1.00 0.36 H new ATOM 0 HB3 ASN A 61 -5.015 2.950 7.221 1.00 0.36 H new ATOM 0 HD21 ASN A 61 -1.387 0.999 7.107 1.00 1.72 H new ATOM 0 HD22 ASN A 61 -2.884 0.184 6.642 1.00 1.72 H new ATOM 948 N SER A 62 -7.618 1.942 8.441 1.00 0.21 N ATOM 949 CA SER A 62 -9.026 1.818 8.116 1.00 0.25 C ATOM 950 C SER A 62 -9.481 3.081 7.405 1.00 0.23 C ATOM 951 O SER A 62 -9.269 4.184 7.910 1.00 0.29 O ATOM 952 CB SER A 62 -9.831 1.582 9.390 1.00 0.34 C ATOM 953 OG SER A 62 -9.631 2.632 10.319 1.00 1.04 O ATOM 0 H SER A 62 -7.369 2.816 8.905 1.00 0.21 H new ATOM 0 HA SER A 62 -9.186 0.966 7.455 1.00 0.25 H new ATOM 0 HB2 SER A 62 -10.890 1.505 9.146 1.00 0.34 H new ATOM 0 HB3 SER A 62 -9.537 0.633 9.839 1.00 0.34 H new ATOM 0 HG SER A 62 -9.355 3.443 9.842 1.00 1.04 H new ATOM 959 N PHE A 63 -10.082 2.937 6.236 1.00 0.18 N ATOM 960 CA PHE A 63 -10.519 4.102 5.487 1.00 0.17 C ATOM 961 C PHE A 63 -11.911 3.920 4.905 1.00 0.18 C ATOM 962 O PHE A 63 -12.315 2.817 4.538 1.00 0.24 O ATOM 963 CB PHE A 63 -9.524 4.420 4.362 1.00 0.17 C ATOM 964 CG PHE A 63 -9.361 3.315 3.357 1.00 0.18 C ATOM 965 CD1 PHE A 63 -10.212 3.221 2.265 1.00 0.88 C ATOM 966 CD2 PHE A 63 -8.362 2.368 3.507 1.00 0.86 C ATOM 967 CE1 PHE A 63 -10.070 2.202 1.346 1.00 0.88 C ATOM 968 CE2 PHE A 63 -8.214 1.346 2.588 1.00 0.88 C ATOM 969 CZ PHE A 63 -9.071 1.263 1.507 1.00 0.23 C ATOM 0 H PHE A 63 -10.276 2.040 5.791 1.00 0.18 H new ATOM 0 HA PHE A 63 -10.558 4.936 6.187 1.00 0.17 H new ATOM 0 HB2 PHE A 63 -9.853 5.321 3.845 1.00 0.17 H new ATOM 0 HB3 PHE A 63 -8.552 4.642 4.803 1.00 0.17 H new ATOM 0 HD1 PHE A 63 -10.994 3.954 2.133 1.00 0.88 H new ATOM 0 HD2 PHE A 63 -7.691 2.428 4.351 1.00 0.86 H new ATOM 0 HE1 PHE A 63 -10.740 2.139 0.501 1.00 0.88 H new ATOM 0 HE2 PHE A 63 -7.430 0.614 2.715 1.00 0.88 H new ATOM 0 HZ PHE A 63 -8.959 0.464 0.789 1.00 0.23 H new ATOM 979 N THR A 64 -12.633 5.017 4.819 1.00 0.17 N ATOM 980 CA THR A 64 -13.961 5.012 4.255 1.00 0.19 C ATOM 981 C THR A 64 -13.965 5.862 2.988 1.00 0.18 C ATOM 982 O THR A 64 -13.440 6.972 2.990 1.00 0.19 O ATOM 983 CB THR A 64 -14.988 5.558 5.263 1.00 0.21 C ATOM 984 OG1 THR A 64 -15.023 4.725 6.429 1.00 0.25 O ATOM 985 CG2 THR A 64 -16.379 5.657 4.647 1.00 0.22 C ATOM 0 H THR A 64 -12.315 5.933 5.137 1.00 0.17 H new ATOM 0 HA THR A 64 -14.242 3.987 4.014 1.00 0.19 H new ATOM 0 HB THR A 64 -14.677 6.563 5.546 1.00 0.21 H new ATOM 0 HG1 THR A 64 -14.406 3.973 6.312 1.00 0.25 H new ATOM 0 HG21 THR A 64 -17.078 6.046 5.387 1.00 0.22 H new ATOM 0 HG22 THR A 64 -16.350 6.327 3.788 1.00 0.22 H new ATOM 0 HG23 THR A 64 -16.705 4.668 4.325 1.00 0.22 H new ATOM 993 N ILE A 65 -14.506 5.322 1.905 1.00 0.18 N ATOM 994 CA ILE A 65 -14.560 6.044 0.641 1.00 0.18 C ATOM 995 C ILE A 65 -15.257 7.404 0.791 1.00 0.21 C ATOM 996 O ILE A 65 -16.360 7.497 1.336 1.00 0.24 O ATOM 997 CB ILE A 65 -15.269 5.210 -0.445 1.00 0.20 C ATOM 998 CG1 ILE A 65 -14.573 3.856 -0.624 1.00 0.21 C ATOM 999 CG2 ILE A 65 -15.294 5.966 -1.765 1.00 0.22 C ATOM 1000 CD1 ILE A 65 -13.097 3.965 -0.952 1.00 0.19 C ATOM 0 H ILE A 65 -14.913 4.387 1.876 1.00 0.18 H new ATOM 0 HA ILE A 65 -13.529 6.221 0.334 1.00 0.18 H new ATOM 0 HB ILE A 65 -16.296 5.033 -0.125 1.00 0.20 H new ATOM 0 HG12 ILE A 65 -14.690 3.274 0.290 1.00 0.21 H new ATOM 0 HG13 ILE A 65 -15.073 3.304 -1.420 1.00 0.21 H new ATOM 0 HG21 ILE A 65 -15.798 5.363 -2.520 1.00 0.22 H new ATOM 0 HG22 ILE A 65 -15.829 6.907 -1.635 1.00 0.22 H new ATOM 0 HG23 ILE A 65 -14.273 6.171 -2.086 1.00 0.22 H new ATOM 0 HD11 ILE A 65 -12.674 2.966 -1.064 1.00 0.19 H new ATOM 0 HD12 ILE A 65 -12.971 4.519 -1.882 1.00 0.19 H new ATOM 0 HD13 ILE A 65 -12.583 4.488 -0.146 1.00 0.19 H new ATOM 1012 N ASP A 66 -14.568 8.454 0.322 1.00 0.20 N ATOM 1013 CA ASP A 66 -15.058 9.835 0.368 1.00 0.23 C ATOM 1014 C ASP A 66 -15.059 10.331 1.811 1.00 0.23 C ATOM 1015 O ASP A 66 -15.800 11.238 2.186 1.00 0.26 O ATOM 1016 CB ASP A 66 -16.452 9.962 -0.259 1.00 0.27 C ATOM 1017 CG ASP A 66 -16.800 11.395 -0.617 1.00 0.35 C ATOM 1018 OD1 ASP A 66 -16.093 11.996 -1.451 1.00 1.04 O ATOM 1019 OD2 ASP A 66 -17.787 11.930 -0.067 1.00 1.10 O ATOM 0 H ASP A 66 -13.645 8.365 -0.104 1.00 0.20 H new ATOM 0 HA ASP A 66 -14.386 10.459 -0.222 1.00 0.23 H new ATOM 0 HB2 ASP A 66 -16.501 9.345 -1.156 1.00 0.27 H new ATOM 0 HB3 ASP A 66 -17.196 9.574 0.436 1.00 0.27 H new ATOM 1024 N LYS A 67 -14.207 9.718 2.612 1.00 0.21 N ATOM 1025 CA LYS A 67 -14.078 10.057 4.015 1.00 0.22 C ATOM 1026 C LYS A 67 -12.600 10.099 4.412 1.00 0.21 C ATOM 1027 O LYS A 67 -11.794 9.313 3.906 1.00 0.23 O ATOM 1028 CB LYS A 67 -14.833 9.018 4.843 1.00 0.23 C ATOM 1029 CG LYS A 67 -14.489 9.013 6.320 1.00 0.25 C ATOM 1030 CD LYS A 67 -14.989 10.258 7.034 1.00 0.35 C ATOM 1031 CE LYS A 67 -14.392 10.354 8.424 1.00 1.15 C ATOM 1032 NZ LYS A 67 -14.874 9.265 9.315 1.00 1.59 N ATOM 0 H LYS A 67 -13.584 8.970 2.306 1.00 0.21 H new ATOM 0 HA LYS A 67 -14.503 11.043 4.201 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -15.903 9.194 4.734 1.00 0.23 H new ATOM 0 HB3 LYS A 67 -14.629 8.029 4.433 1.00 0.23 H new ATOM 0 HG2 LYS A 67 -14.923 8.130 6.789 1.00 0.25 H new ATOM 0 HG3 LYS A 67 -13.408 8.939 6.439 1.00 0.25 H new ATOM 0 HD2 LYS A 67 -14.725 11.145 6.457 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -16.077 10.233 7.101 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -13.305 10.311 8.355 1.00 1.15 H new ATOM 0 HE3 LYS A 67 -14.646 11.319 8.862 1.00 1.15 H new ATOM 0 HZ1 LYS A 67 -14.468 9.388 10.264 1.00 1.59 H new ATOM 0 HZ2 LYS A 67 -15.912 9.299 9.375 1.00 1.59 H new ATOM 0 HZ3 LYS A 67 -14.580 8.345 8.929 1.00 1.59 H new ATOM 1046 N GLU A 68 -12.238 11.044 5.276 1.00 0.24 N ATOM 1047 CA GLU A 68 -10.865 11.158 5.749 1.00 0.26 C ATOM 1048 C GLU A 68 -10.557 9.983 6.668 1.00 0.23 C ATOM 1049 O GLU A 68 -11.412 9.561 7.449 1.00 0.34 O ATOM 1050 CB GLU A 68 -10.656 12.478 6.493 1.00 0.34 C ATOM 1051 CG GLU A 68 -9.218 12.966 6.477 1.00 1.35 C ATOM 1052 CD GLU A 68 -9.037 14.205 5.628 1.00 1.92 C ATOM 1053 OE1 GLU A 68 -9.327 15.315 6.125 1.00 2.51 O ATOM 1054 OE2 GLU A 68 -8.611 14.078 4.460 1.00 2.55 O ATOM 0 H GLU A 68 -12.877 11.740 5.661 1.00 0.24 H new ATOM 0 HA GLU A 68 -10.190 11.143 4.893 1.00 0.26 H new ATOM 0 HB2 GLU A 68 -11.294 13.241 6.048 1.00 0.34 H new ATOM 0 HB3 GLU A 68 -10.978 12.357 7.527 1.00 0.34 H new ATOM 0 HG2 GLU A 68 -8.898 13.178 7.497 1.00 1.35 H new ATOM 0 HG3 GLU A 68 -8.573 12.173 6.099 1.00 1.35 H new ATOM 1061 N ALA A 69 -9.354 9.445 6.570 1.00 0.20 N ATOM 1062 CA ALA A 69 -8.978 8.303 7.385 1.00 0.18 C ATOM 1063 C ALA A 69 -7.641 8.501 8.083 1.00 0.21 C ATOM 1064 O ALA A 69 -6.837 9.350 7.695 1.00 0.31 O ATOM 1065 CB ALA A 69 -8.935 7.051 6.526 1.00 0.18 C ATOM 0 H ALA A 69 -8.625 9.778 5.939 1.00 0.20 H new ATOM 0 HA ALA A 69 -9.734 8.196 8.163 1.00 0.18 H new ATOM 0 HB1 ALA A 69 -8.653 6.197 7.142 1.00 0.18 H new ATOM 0 HB2 ALA A 69 -9.918 6.875 6.090 1.00 0.18 H new ATOM 0 HB3 ALA A 69 -8.203 7.182 5.729 1.00 0.18 H new ATOM 1071 N ASP A 70 -7.422 7.693 9.110 1.00 0.20 N ATOM 1072 CA ASP A 70 -6.191 7.723 9.881 1.00 0.24 C ATOM 1073 C ASP A 70 -5.264 6.648 9.344 1.00 0.22 C ATOM 1074 O ASP A 70 -5.562 5.454 9.437 1.00 0.25 O ATOM 1075 CB ASP A 70 -6.463 7.473 11.370 1.00 0.31 C ATOM 1076 CG ASP A 70 -7.285 8.570 12.023 1.00 1.14 C ATOM 1077 OD1 ASP A 70 -8.534 8.513 11.947 1.00 1.95 O ATOM 1078 OD2 ASP A 70 -6.686 9.480 12.635 1.00 1.87 O ATOM 0 H ASP A 70 -8.095 6.997 9.432 1.00 0.20 H new ATOM 0 HA ASP A 70 -5.734 8.708 9.786 1.00 0.24 H new ATOM 0 HB2 ASP A 70 -6.984 6.522 11.482 1.00 0.31 H new ATOM 0 HB3 ASP A 70 -5.512 7.379 11.895 1.00 0.31 H new ATOM 1083 N MET A 71 -4.153 7.058 8.764 1.00 0.20 N ATOM 1084 CA MET A 71 -3.223 6.108 8.195 1.00 0.20 C ATOM 1085 C MET A 71 -1.862 6.187 8.855 1.00 0.22 C ATOM 1086 O MET A 71 -1.550 7.136 9.579 1.00 0.26 O ATOM 1087 CB MET A 71 -3.058 6.346 6.707 1.00 0.22 C ATOM 1088 CG MET A 71 -4.368 6.384 5.963 1.00 0.19 C ATOM 1089 SD MET A 71 -4.280 7.405 4.491 1.00 0.20 S ATOM 1090 CE MET A 71 -6.017 7.705 4.242 1.00 0.20 C ATOM 0 H MET A 71 -3.875 8.035 8.676 1.00 0.20 H new ATOM 0 HA MET A 71 -3.640 5.116 8.369 1.00 0.20 H new ATOM 0 HB2 MET A 71 -2.532 7.288 6.552 1.00 0.22 H new ATOM 0 HB3 MET A 71 -2.432 5.559 6.287 1.00 0.22 H new ATOM 0 HG2 MET A 71 -4.655 5.370 5.684 1.00 0.19 H new ATOM 0 HG3 MET A 71 -5.148 6.766 6.622 1.00 0.19 H new ATOM 0 HE1 MET A 71 -6.162 8.255 3.312 1.00 0.20 H new ATOM 0 HE2 MET A 71 -6.546 6.754 4.187 1.00 0.20 H new ATOM 0 HE3 MET A 71 -6.408 8.290 5.074 1.00 0.20 H new ATOM 1100 N GLU A 72 -1.067 5.169 8.597 1.00 0.24 N ATOM 1101 CA GLU A 72 0.277 5.080 9.111 1.00 0.25 C ATOM 1102 C GLU A 72 1.087 4.148 8.224 1.00 0.26 C ATOM 1103 O GLU A 72 0.578 3.131 7.752 1.00 0.29 O ATOM 1104 CB GLU A 72 0.267 4.578 10.556 1.00 0.28 C ATOM 1105 CG GLU A 72 1.631 4.160 11.077 1.00 0.30 C ATOM 1106 CD GLU A 72 1.572 3.636 12.492 1.00 0.67 C ATOM 1107 OE1 GLU A 72 1.182 4.398 13.401 1.00 1.47 O ATOM 1108 OE2 GLU A 72 1.908 2.458 12.704 1.00 1.32 O ATOM 0 H GLU A 72 -1.342 4.375 8.019 1.00 0.24 H new ATOM 0 HA GLU A 72 0.734 6.070 9.106 1.00 0.25 H new ATOM 0 HB2 GLU A 72 -0.131 5.363 11.199 1.00 0.28 H new ATOM 0 HB3 GLU A 72 -0.414 3.730 10.630 1.00 0.28 H new ATOM 0 HG2 GLU A 72 2.046 3.391 10.425 1.00 0.30 H new ATOM 0 HG3 GLU A 72 2.309 5.012 11.036 1.00 0.30 H new ATOM 1115 N THR A 73 2.326 4.516 7.959 1.00 0.26 N ATOM 1116 CA THR A 73 3.192 3.694 7.135 1.00 0.28 C ATOM 1117 C THR A 73 4.057 2.813 8.016 1.00 0.30 C ATOM 1118 O THR A 73 4.171 3.046 9.217 1.00 0.36 O ATOM 1119 CB THR A 73 4.115 4.534 6.226 1.00 0.28 C ATOM 1120 OG1 THR A 73 5.164 5.139 6.992 1.00 0.28 O ATOM 1121 CG2 THR A 73 3.337 5.613 5.505 1.00 0.32 C ATOM 0 H THR A 73 2.755 5.376 8.301 1.00 0.26 H new ATOM 0 HA THR A 73 2.543 3.092 6.499 1.00 0.28 H new ATOM 0 HB THR A 73 4.549 3.859 5.488 1.00 0.28 H new ATOM 0 HG1 THR A 73 5.827 5.531 6.386 1.00 0.28 H new ATOM 0 HG21 THR A 73 4.013 6.188 4.873 1.00 0.32 H new ATOM 0 HG22 THR A 73 2.565 5.154 4.887 1.00 0.32 H new ATOM 0 HG23 THR A 73 2.872 6.275 6.235 1.00 0.32 H new ATOM 1129 N MET A 74 4.686 1.816 7.412 1.00 0.32 N ATOM 1130 CA MET A 74 5.560 0.921 8.153 1.00 0.34 C ATOM 1131 C MET A 74 6.866 1.631 8.487 1.00 0.31 C ATOM 1132 O MET A 74 7.750 1.070 9.133 1.00 0.37 O ATOM 1133 CB MET A 74 5.839 -0.352 7.353 1.00 0.42 C ATOM 1134 CG MET A 74 4.725 -1.386 7.450 1.00 0.76 C ATOM 1135 SD MET A 74 5.097 -2.911 6.563 1.00 0.93 S ATOM 1136 CE MET A 74 4.986 -2.362 4.862 1.00 1.05 C ATOM 0 H MET A 74 4.608 1.607 6.417 1.00 0.32 H new ATOM 0 HA MET A 74 5.061 0.637 9.079 1.00 0.34 H new ATOM 0 HB2 MET A 74 5.989 -0.088 6.306 1.00 0.42 H new ATOM 0 HB3 MET A 74 6.769 -0.797 7.706 1.00 0.42 H new ATOM 0 HG2 MET A 74 4.543 -1.618 8.499 1.00 0.76 H new ATOM 0 HG3 MET A 74 3.804 -0.958 7.054 1.00 0.76 H new ATOM 0 HE1 MET A 74 4.766 -3.214 4.218 1.00 1.05 H new ATOM 0 HE2 MET A 74 4.191 -1.622 4.770 1.00 1.05 H new ATOM 0 HE3 MET A 74 5.934 -1.915 4.561 1.00 1.05 H new ATOM 1146 N GLY A 75 6.981 2.875 8.029 1.00 0.28 N ATOM 1147 CA GLY A 75 8.161 3.664 8.291 1.00 0.31 C ATOM 1148 C GLY A 75 8.009 4.451 9.573 1.00 0.35 C ATOM 1149 O GLY A 75 8.980 4.994 10.103 1.00 0.48 O ATOM 0 H GLY A 75 6.267 3.350 7.476 1.00 0.28 H new ATOM 0 HA2 GLY A 75 9.032 3.012 8.361 1.00 0.31 H new ATOM 0 HA3 GLY A 75 8.340 4.346 7.460 1.00 0.31 H new ATOM 1153 N GLY A 76 6.780 4.497 10.077 1.00 0.34 N ATOM 1154 CA GLY A 76 6.502 5.209 11.303 1.00 0.39 C ATOM 1155 C GLY A 76 5.904 6.578 11.061 1.00 0.38 C ATOM 1156 O GLY A 76 6.198 7.525 11.791 1.00 0.48 O ATOM 0 H GLY A 76 5.968 4.049 9.652 1.00 0.34 H new ATOM 0 HA2 GLY A 76 5.817 4.620 11.913 1.00 0.39 H new ATOM 0 HA3 GLY A 76 7.425 5.316 11.873 1.00 0.39 H new ATOM 1160 N ARG A 77 5.072 6.692 10.033 1.00 0.38 N ATOM 1161 CA ARG A 77 4.433 7.963 9.713 1.00 0.38 C ATOM 1162 C ARG A 77 2.939 7.899 9.967 1.00 0.37 C ATOM 1163 O ARG A 77 2.242 7.115 9.338 1.00 0.36 O ATOM 1164 CB ARG A 77 4.644 8.342 8.247 1.00 0.37 C ATOM 1165 CG ARG A 77 6.031 8.104 7.720 1.00 0.39 C ATOM 1166 CD ARG A 77 6.092 8.469 6.254 1.00 0.43 C ATOM 1167 NE ARG A 77 6.423 9.879 6.044 1.00 0.52 N ATOM 1168 CZ ARG A 77 7.608 10.315 5.614 1.00 0.67 C ATOM 1169 NH1 ARG A 77 8.574 9.453 5.327 1.00 0.80 N ATOM 1170 NH2 ARG A 77 7.826 11.615 5.456 1.00 0.85 N ATOM 0 H ARG A 77 4.825 5.924 9.409 1.00 0.38 H new ATOM 0 HA ARG A 77 4.893 8.713 10.357 1.00 0.38 H new ATOM 0 HB2 ARG A 77 3.939 7.778 7.637 1.00 0.37 H new ATOM 0 HB3 ARG A 77 4.401 9.397 8.122 1.00 0.37 H new ATOM 0 HG2 ARG A 77 6.751 8.699 8.282 1.00 0.39 H new ATOM 0 HG3 ARG A 77 6.307 7.058 7.856 1.00 0.39 H new ATOM 0 HD2 ARG A 77 6.836 7.846 5.758 1.00 0.43 H new ATOM 0 HD3 ARG A 77 5.131 8.251 5.788 1.00 0.43 H new ATOM 0 HE ARG A 77 5.701 10.573 6.239 1.00 0.52 H new ATOM 0 HH11 ARG A 77 8.413 8.452 5.435 1.00 0.80 H new ATOM 0 HH12 ARG A 77 9.478 9.791 4.998 1.00 0.80 H new ATOM 0 HH21 ARG A 77 7.086 12.285 5.664 1.00 0.85 H new ATOM 0 HH22 ARG A 77 8.734 11.944 5.127 1.00 0.85 H new ATOM 1184 N LYS A 78 2.458 8.723 10.883 1.00 0.42 N ATOM 1185 CA LYS A 78 1.036 8.776 11.185 1.00 0.43 C ATOM 1186 C LYS A 78 0.456 10.017 10.528 1.00 0.39 C ATOM 1187 O LYS A 78 0.918 11.132 10.775 1.00 0.44 O ATOM 1188 CB LYS A 78 0.787 8.798 12.697 1.00 0.57 C ATOM 1189 CG LYS A 78 1.321 7.575 13.427 1.00 0.75 C ATOM 1190 CD LYS A 78 2.755 7.780 13.885 1.00 1.12 C ATOM 1191 CE LYS A 78 3.360 6.496 14.430 1.00 1.69 C ATOM 1192 NZ LYS A 78 2.414 5.774 15.324 1.00 1.76 N ATOM 0 H LYS A 78 3.031 9.365 11.431 1.00 0.42 H new ATOM 0 HA LYS A 78 0.549 7.882 10.795 1.00 0.43 H new ATOM 0 HB2 LYS A 78 1.249 9.691 13.118 1.00 0.57 H new ATOM 0 HB3 LYS A 78 -0.285 8.878 12.878 1.00 0.57 H new ATOM 0 HG2 LYS A 78 0.690 7.361 14.290 1.00 0.75 H new ATOM 0 HG3 LYS A 78 1.269 6.707 12.770 1.00 0.75 H new ATOM 0 HD2 LYS A 78 3.356 8.140 13.050 1.00 1.12 H new ATOM 0 HD3 LYS A 78 2.785 8.552 14.654 1.00 1.12 H new ATOM 0 HE2 LYS A 78 3.643 5.847 13.601 1.00 1.69 H new ATOM 0 HE3 LYS A 78 4.273 6.729 14.979 1.00 1.69 H new ATOM 0 HZ1 LYS A 78 2.941 5.103 15.918 1.00 1.76 H new ATOM 0 HZ2 LYS A 78 1.919 6.458 15.930 1.00 1.76 H new ATOM 0 HZ3 LYS A 78 1.720 5.255 14.749 1.00 1.76 H new ATOM 1206 N PHE A 79 -0.543 9.828 9.687 1.00 0.33 N ATOM 1207 CA PHE A 79 -1.135 10.939 8.961 1.00 0.31 C ATOM 1208 C PHE A 79 -2.603 10.688 8.649 1.00 0.28 C ATOM 1209 O PHE A 79 -3.139 9.621 8.945 1.00 0.29 O ATOM 1210 CB PHE A 79 -0.352 11.153 7.663 1.00 0.31 C ATOM 1211 CG PHE A 79 -0.243 9.904 6.832 1.00 0.28 C ATOM 1212 CD1 PHE A 79 0.775 8.999 7.070 1.00 1.07 C ATOM 1213 CD2 PHE A 79 -1.162 9.629 5.834 1.00 1.17 C ATOM 1214 CE1 PHE A 79 0.878 7.845 6.332 1.00 1.09 C ATOM 1215 CE2 PHE A 79 -1.065 8.473 5.093 1.00 1.16 C ATOM 1216 CZ PHE A 79 -0.046 7.578 5.342 1.00 0.26 C ATOM 0 H PHE A 79 -0.962 8.919 9.489 1.00 0.33 H new ATOM 0 HA PHE A 79 -1.083 11.831 9.586 1.00 0.31 H new ATOM 0 HB2 PHE A 79 -0.838 11.933 7.076 1.00 0.31 H new ATOM 0 HB3 PHE A 79 0.649 11.512 7.903 1.00 0.31 H new ATOM 0 HD1 PHE A 79 1.498 9.202 7.846 1.00 1.07 H new ATOM 0 HD2 PHE A 79 -1.962 10.327 5.635 1.00 1.17 H new ATOM 0 HE1 PHE A 79 1.680 7.148 6.526 1.00 1.09 H new ATOM 0 HE2 PHE A 79 -1.787 8.267 4.317 1.00 1.16 H new ATOM 0 HZ PHE A 79 0.029 6.669 4.763 1.00 0.26 H new ATOM 1226 N LYS A 80 -3.245 11.687 8.057 1.00 0.29 N ATOM 1227 CA LYS A 80 -4.647 11.593 7.684 1.00 0.33 C ATOM 1228 C LYS A 80 -4.806 12.001 6.235 1.00 0.27 C ATOM 1229 O LYS A 80 -4.249 13.009 5.800 1.00 0.28 O ATOM 1230 CB LYS A 80 -5.525 12.478 8.583 1.00 0.44 C ATOM 1231 CG LYS A 80 -5.665 11.968 10.015 1.00 0.65 C ATOM 1232 CD LYS A 80 -4.498 12.403 10.883 1.00 0.81 C ATOM 1233 CE LYS A 80 -4.486 11.681 12.221 1.00 1.64 C ATOM 1234 NZ LYS A 80 -5.731 11.902 13.005 1.00 2.55 N ATOM 0 H LYS A 80 -2.810 12.580 7.824 1.00 0.29 H new ATOM 0 HA LYS A 80 -4.974 10.561 7.815 1.00 0.33 H new ATOM 0 HB2 LYS A 80 -5.105 13.483 8.606 1.00 0.44 H new ATOM 0 HB3 LYS A 80 -6.517 12.558 8.139 1.00 0.44 H new ATOM 0 HG2 LYS A 80 -6.596 12.339 10.444 1.00 0.65 H new ATOM 0 HG3 LYS A 80 -5.728 10.880 10.009 1.00 0.65 H new ATOM 0 HD2 LYS A 80 -3.563 12.209 10.358 1.00 0.81 H new ATOM 0 HD3 LYS A 80 -4.552 13.479 11.051 1.00 0.81 H new ATOM 0 HE2 LYS A 80 -4.354 10.612 12.051 1.00 1.64 H new ATOM 0 HE3 LYS A 80 -3.630 12.020 12.804 1.00 1.64 H new ATOM 0 HZ1 LYS A 80 -5.493 12.009 14.012 1.00 2.55 H new ATOM 0 HZ2 LYS A 80 -6.205 12.764 12.668 1.00 2.55 H new ATOM 0 HZ3 LYS A 80 -6.366 11.087 12.885 1.00 2.55 H new ATOM 1248 N ALA A 81 -5.553 11.215 5.487 1.00 0.24 N ATOM 1249 CA ALA A 81 -5.764 11.495 4.081 1.00 0.20 C ATOM 1250 C ALA A 81 -7.148 11.031 3.650 1.00 0.19 C ATOM 1251 O ALA A 81 -7.778 10.229 4.342 1.00 0.19 O ATOM 1252 CB ALA A 81 -4.678 10.816 3.249 1.00 0.21 C ATOM 0 H ALA A 81 -6.024 10.377 5.829 1.00 0.24 H new ATOM 0 HA ALA A 81 -5.704 12.571 3.918 1.00 0.20 H new ATOM 0 HB1 ALA A 81 -4.842 11.030 2.193 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -3.700 11.194 3.549 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -4.716 9.739 3.411 1.00 0.21 H new ATOM 1258 N THR A 82 -7.631 11.543 2.526 1.00 0.19 N ATOM 1259 CA THR A 82 -8.936 11.155 2.012 1.00 0.19 C ATOM 1260 C THR A 82 -8.790 10.061 0.958 1.00 0.20 C ATOM 1261 O THR A 82 -7.863 10.091 0.144 1.00 0.28 O ATOM 1262 CB THR A 82 -9.686 12.353 1.400 1.00 0.23 C ATOM 1263 OG1 THR A 82 -9.177 13.585 1.939 1.00 0.33 O ATOM 1264 CG2 THR A 82 -11.180 12.244 1.680 1.00 0.25 C ATOM 0 H THR A 82 -7.138 12.228 1.953 1.00 0.19 H new ATOM 0 HA THR A 82 -9.516 10.779 2.855 1.00 0.19 H new ATOM 0 HB THR A 82 -9.529 12.345 0.321 1.00 0.23 H new ATOM 0 HG1 THR A 82 -9.178 13.539 2.918 1.00 0.33 H new ATOM 0 HG21 THR A 82 -11.696 13.098 1.241 1.00 0.25 H new ATOM 0 HG22 THR A 82 -11.566 11.323 1.243 1.00 0.25 H new ATOM 0 HG23 THR A 82 -11.348 12.233 2.757 1.00 0.25 H new ATOM 1272 N VAL A 83 -9.698 9.096 0.975 1.00 0.15 N ATOM 1273 CA VAL A 83 -9.662 7.996 0.033 1.00 0.15 C ATOM 1274 C VAL A 83 -10.970 7.941 -0.738 1.00 0.16 C ATOM 1275 O VAL A 83 -12.032 8.130 -0.161 1.00 0.19 O ATOM 1276 CB VAL A 83 -9.446 6.648 0.752 1.00 0.15 C ATOM 1277 CG1 VAL A 83 -9.385 5.522 -0.256 1.00 0.15 C ATOM 1278 CG2 VAL A 83 -8.181 6.677 1.590 1.00 0.19 C ATOM 0 H VAL A 83 -10.473 9.056 1.638 1.00 0.15 H new ATOM 0 HA VAL A 83 -8.828 8.164 -0.648 1.00 0.15 H new ATOM 0 HB VAL A 83 -10.290 6.477 1.420 1.00 0.15 H new ATOM 0 HG11 VAL A 83 -9.232 4.576 0.264 1.00 0.15 H new ATOM 0 HG12 VAL A 83 -10.320 5.482 -0.814 1.00 0.15 H new ATOM 0 HG13 VAL A 83 -8.558 5.695 -0.945 1.00 0.15 H new ATOM 0 HG21 VAL A 83 -8.051 5.715 2.087 1.00 0.19 H new ATOM 0 HG22 VAL A 83 -7.323 6.872 0.947 1.00 0.19 H new ATOM 0 HG23 VAL A 83 -8.259 7.465 2.339 1.00 0.19 H new ATOM 1288 N LYS A 84 -10.895 7.713 -2.036 1.00 0.17 N ATOM 1289 CA LYS A 84 -12.088 7.632 -2.860 1.00 0.19 C ATOM 1290 C LYS A 84 -11.990 6.433 -3.793 1.00 0.19 C ATOM 1291 O LYS A 84 -11.019 5.683 -3.739 1.00 0.21 O ATOM 1292 CB LYS A 84 -12.275 8.931 -3.649 1.00 0.21 C ATOM 1293 CG LYS A 84 -11.072 9.298 -4.496 1.00 0.26 C ATOM 1294 CD LYS A 84 -11.091 10.754 -4.922 1.00 0.42 C ATOM 1295 CE LYS A 84 -9.725 11.189 -5.433 1.00 0.49 C ATOM 1296 NZ LYS A 84 -9.763 12.542 -6.037 1.00 1.14 N ATOM 0 H LYS A 84 -10.020 7.580 -2.543 1.00 0.17 H new ATOM 0 HA LYS A 84 -12.960 7.499 -2.220 1.00 0.19 H new ATOM 0 HB2 LYS A 84 -13.148 8.833 -4.294 1.00 0.21 H new ATOM 0 HB3 LYS A 84 -12.482 9.744 -2.953 1.00 0.21 H new ATOM 0 HG2 LYS A 84 -10.160 9.098 -3.934 1.00 0.26 H new ATOM 0 HG3 LYS A 84 -11.046 8.663 -5.381 1.00 0.26 H new ATOM 0 HD2 LYS A 84 -11.838 10.899 -5.702 1.00 0.42 H new ATOM 0 HD3 LYS A 84 -11.384 11.380 -4.079 1.00 0.42 H new ATOM 0 HE2 LYS A 84 -9.010 11.179 -4.610 1.00 0.49 H new ATOM 0 HE3 LYS A 84 -9.369 10.472 -6.173 1.00 0.49 H new ATOM 0 HZ1 LYS A 84 -8.813 12.799 -6.372 1.00 1.14 H new ATOM 0 HZ2 LYS A 84 -10.426 12.546 -6.839 1.00 1.14 H new ATOM 0 HZ3 LYS A 84 -10.077 13.231 -5.325 1.00 1.14 H new ATOM 1310 N MET A 85 -12.988 6.247 -4.638 1.00 0.21 N ATOM 1311 CA MET A 85 -12.991 5.126 -5.563 1.00 0.22 C ATOM 1312 C MET A 85 -13.265 5.601 -6.984 1.00 0.28 C ATOM 1313 O MET A 85 -14.115 6.464 -7.202 1.00 0.41 O ATOM 1314 CB MET A 85 -14.042 4.104 -5.142 1.00 0.23 C ATOM 1315 CG MET A 85 -13.459 2.769 -4.719 1.00 0.21 C ATOM 1316 SD MET A 85 -14.740 1.574 -4.287 1.00 0.26 S ATOM 1317 CE MET A 85 -13.810 0.439 -3.265 1.00 0.25 C ATOM 0 H MET A 85 -13.805 6.855 -4.704 1.00 0.21 H new ATOM 0 HA MET A 85 -12.007 4.657 -5.540 1.00 0.22 H new ATOM 0 HB2 MET A 85 -14.625 4.514 -4.317 1.00 0.23 H new ATOM 0 HB3 MET A 85 -14.732 3.943 -5.970 1.00 0.23 H new ATOM 0 HG2 MET A 85 -12.848 2.368 -5.528 1.00 0.21 H new ATOM 0 HG3 MET A 85 -12.799 2.917 -3.864 1.00 0.21 H new ATOM 0 HE1 MET A 85 -14.483 -0.309 -2.847 1.00 0.25 H new ATOM 0 HE2 MET A 85 -13.049 -0.055 -3.869 1.00 0.25 H new ATOM 0 HE3 MET A 85 -13.330 0.988 -2.455 1.00 0.25 H new ATOM 1327 N GLU A 86 -12.537 5.042 -7.942 1.00 0.26 N ATOM 1328 CA GLU A 86 -12.705 5.411 -9.341 1.00 0.32 C ATOM 1329 C GLU A 86 -13.087 4.200 -10.192 1.00 0.29 C ATOM 1330 O GLU A 86 -12.260 3.641 -10.914 1.00 0.36 O ATOM 1331 CB GLU A 86 -11.423 6.053 -9.886 1.00 0.48 C ATOM 1332 CG GLU A 86 -10.142 5.399 -9.381 1.00 1.22 C ATOM 1333 CD GLU A 86 -8.999 5.482 -10.371 1.00 1.99 C ATOM 1334 OE1 GLU A 86 -8.684 6.599 -10.828 1.00 2.46 O ATOM 1335 OE2 GLU A 86 -8.409 4.431 -10.699 1.00 2.67 O ATOM 0 H GLU A 86 -11.825 4.331 -7.776 1.00 0.26 H new ATOM 0 HA GLU A 86 -13.516 6.137 -9.397 1.00 0.32 H new ATOM 0 HB2 GLU A 86 -11.439 6.005 -10.975 1.00 0.48 H new ATOM 0 HB3 GLU A 86 -11.412 7.108 -9.613 1.00 0.48 H new ATOM 0 HG2 GLU A 86 -9.841 5.876 -8.448 1.00 1.22 H new ATOM 0 HG3 GLU A 86 -10.342 4.352 -9.153 1.00 1.22 H new ATOM 1342 N GLY A 87 -14.344 3.796 -10.104 1.00 0.37 N ATOM 1343 CA GLY A 87 -14.817 2.674 -10.889 1.00 0.46 C ATOM 1344 C GLY A 87 -14.360 1.328 -10.350 1.00 0.38 C ATOM 1345 O GLY A 87 -13.851 0.492 -11.098 1.00 0.36 O ATOM 0 H GLY A 87 -15.047 4.225 -9.502 1.00 0.37 H new ATOM 0 HA2 GLY A 87 -15.906 2.694 -10.920 1.00 0.46 H new ATOM 0 HA3 GLY A 87 -14.467 2.784 -11.915 1.00 0.46 H new ATOM 1349 N GLY A 88 -14.542 1.118 -9.051 1.00 0.36 N ATOM 1350 CA GLY A 88 -14.148 -0.138 -8.435 1.00 0.33 C ATOM 1351 C GLY A 88 -12.679 -0.178 -8.067 1.00 0.27 C ATOM 1352 O GLY A 88 -12.167 -1.207 -7.630 1.00 0.32 O ATOM 0 H GLY A 88 -14.956 1.796 -8.411 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -14.747 -0.301 -7.539 1.00 0.33 H new ATOM 0 HA3 GLY A 88 -14.369 -0.957 -9.119 1.00 0.33 H new ATOM 1356 N LYS A 89 -12.003 0.946 -8.236 1.00 0.22 N ATOM 1357 CA LYS A 89 -10.588 1.042 -7.921 1.00 0.19 C ATOM 1358 C LYS A 89 -10.395 2.078 -6.826 1.00 0.17 C ATOM 1359 O LYS A 89 -10.838 3.214 -6.963 1.00 0.20 O ATOM 1360 CB LYS A 89 -9.783 1.442 -9.164 1.00 0.24 C ATOM 1361 CG LYS A 89 -10.238 0.765 -10.435 1.00 0.28 C ATOM 1362 CD LYS A 89 -9.831 1.556 -11.669 1.00 0.52 C ATOM 1363 CE LYS A 89 -8.425 1.215 -12.135 1.00 1.06 C ATOM 1364 NZ LYS A 89 -7.400 2.126 -11.559 1.00 1.76 N ATOM 0 H LYS A 89 -12.414 1.809 -8.592 1.00 0.22 H new ATOM 0 HA LYS A 89 -10.231 0.070 -7.581 1.00 0.19 H new ATOM 0 HB2 LYS A 89 -9.850 2.522 -9.296 1.00 0.24 H new ATOM 0 HB3 LYS A 89 -8.732 1.206 -8.995 1.00 0.24 H new ATOM 0 HG2 LYS A 89 -9.811 -0.236 -10.487 1.00 0.28 H new ATOM 0 HG3 LYS A 89 -11.322 0.649 -10.418 1.00 0.28 H new ATOM 0 HD2 LYS A 89 -10.537 1.356 -12.475 1.00 0.52 H new ATOM 0 HD3 LYS A 89 -9.890 2.622 -11.450 1.00 0.52 H new ATOM 0 HE2 LYS A 89 -8.192 0.187 -11.856 1.00 1.06 H new ATOM 0 HE3 LYS A 89 -8.383 1.267 -13.223 1.00 1.06 H new ATOM 0 HZ1 LYS A 89 -6.857 2.568 -12.328 1.00 1.76 H new ATOM 0 HZ2 LYS A 89 -7.869 2.865 -10.997 1.00 1.76 H new ATOM 0 HZ3 LYS A 89 -6.757 1.583 -10.948 1.00 1.76 H new ATOM 1378 N ILE A 90 -9.756 1.694 -5.739 1.00 0.17 N ATOM 1379 CA ILE A 90 -9.539 2.619 -4.636 1.00 0.16 C ATOM 1380 C ILE A 90 -8.366 3.542 -4.930 1.00 0.17 C ATOM 1381 O ILE A 90 -7.248 3.082 -5.161 1.00 0.22 O ATOM 1382 CB ILE A 90 -9.285 1.879 -3.311 1.00 0.17 C ATOM 1383 CG1 ILE A 90 -10.276 0.721 -3.154 1.00 0.19 C ATOM 1384 CG2 ILE A 90 -9.391 2.845 -2.147 1.00 0.18 C ATOM 1385 CD1 ILE A 90 -10.522 0.292 -1.721 1.00 0.20 C ATOM 0 H ILE A 90 -9.380 0.757 -5.593 1.00 0.17 H new ATOM 0 HA ILE A 90 -10.450 3.209 -4.532 1.00 0.16 H new ATOM 0 HB ILE A 90 -8.277 1.465 -3.321 1.00 0.17 H new ATOM 0 HG12 ILE A 90 -11.227 1.010 -3.601 1.00 0.19 H new ATOM 0 HG13 ILE A 90 -9.906 -0.136 -3.718 1.00 0.19 H new ATOM 0 HG21 ILE A 90 -9.210 2.312 -1.214 1.00 0.18 H new ATOM 0 HG22 ILE A 90 -8.650 3.636 -2.262 1.00 0.18 H new ATOM 0 HG23 ILE A 90 -10.389 3.282 -2.127 1.00 0.18 H new ATOM 0 HD11 ILE A 90 -11.236 -0.532 -1.705 1.00 0.20 H new ATOM 0 HD12 ILE A 90 -9.583 -0.032 -1.272 1.00 0.20 H new ATOM 0 HD13 ILE A 90 -10.924 1.131 -1.154 1.00 0.20 H new ATOM 1397 N VAL A 91 -8.631 4.840 -4.938 1.00 0.15 N ATOM 1398 CA VAL A 91 -7.602 5.832 -5.189 1.00 0.17 C ATOM 1399 C VAL A 91 -7.476 6.778 -4.000 1.00 0.16 C ATOM 1400 O VAL A 91 -8.471 7.284 -3.478 1.00 0.16 O ATOM 1401 CB VAL A 91 -7.889 6.627 -6.483 1.00 0.20 C ATOM 1402 CG1 VAL A 91 -9.264 7.268 -6.440 1.00 0.25 C ATOM 1403 CG2 VAL A 91 -6.820 7.679 -6.727 1.00 0.25 C ATOM 0 H VAL A 91 -9.558 5.231 -4.772 1.00 0.15 H new ATOM 0 HA VAL A 91 -6.656 5.307 -5.324 1.00 0.17 H new ATOM 0 HB VAL A 91 -7.869 5.920 -7.313 1.00 0.20 H new ATOM 0 HG11 VAL A 91 -9.437 7.820 -7.364 1.00 0.25 H new ATOM 0 HG12 VAL A 91 -10.023 6.493 -6.333 1.00 0.25 H new ATOM 0 HG13 VAL A 91 -9.321 7.951 -5.593 1.00 0.25 H new ATOM 0 HG21 VAL A 91 -7.047 8.223 -7.644 1.00 0.25 H new ATOM 0 HG22 VAL A 91 -6.796 8.375 -5.888 1.00 0.25 H new ATOM 0 HG23 VAL A 91 -5.848 7.195 -6.824 1.00 0.25 H new ATOM 1413 N ALA A 92 -6.250 6.995 -3.559 1.00 0.18 N ATOM 1414 CA ALA A 92 -5.994 7.871 -2.431 1.00 0.19 C ATOM 1415 C ALA A 92 -5.385 9.192 -2.889 1.00 0.20 C ATOM 1416 O ALA A 92 -4.674 9.241 -3.894 1.00 0.25 O ATOM 1417 CB ALA A 92 -5.092 7.170 -1.430 1.00 0.22 C ATOM 0 H ALA A 92 -5.414 6.575 -3.966 1.00 0.18 H new ATOM 0 HA ALA A 92 -6.942 8.102 -1.945 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -4.903 7.832 -0.585 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.578 6.261 -1.077 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -4.147 6.914 -1.909 1.00 0.22 H new ATOM 1423 N ASP A 93 -5.669 10.254 -2.149 1.00 0.22 N ATOM 1424 CA ASP A 93 -5.167 11.585 -2.476 1.00 0.26 C ATOM 1425 C ASP A 93 -3.947 11.932 -1.630 1.00 0.22 C ATOM 1426 O ASP A 93 -4.026 11.965 -0.399 1.00 0.23 O ATOM 1427 CB ASP A 93 -6.273 12.630 -2.270 1.00 0.37 C ATOM 1428 CG ASP A 93 -5.742 14.035 -2.043 1.00 0.50 C ATOM 1429 OD1 ASP A 93 -4.933 14.519 -2.861 1.00 0.88 O ATOM 1430 OD2 ASP A 93 -6.138 14.670 -1.040 1.00 1.19 O ATOM 0 H ASP A 93 -6.249 10.221 -1.311 1.00 0.22 H new ATOM 0 HA ASP A 93 -4.864 11.589 -3.523 1.00 0.26 H new ATOM 0 HB2 ASP A 93 -6.926 12.633 -3.142 1.00 0.37 H new ATOM 0 HB3 ASP A 93 -6.884 12.338 -1.416 1.00 0.37 H new ATOM 1435 N PHE A 94 -2.824 12.192 -2.294 1.00 0.22 N ATOM 1436 CA PHE A 94 -1.579 12.531 -1.617 1.00 0.21 C ATOM 1437 C PHE A 94 -0.747 13.476 -2.474 1.00 0.24 C ATOM 1438 O PHE A 94 -0.832 13.440 -3.704 1.00 0.26 O ATOM 1439 CB PHE A 94 -0.752 11.273 -1.332 1.00 0.21 C ATOM 1440 CG PHE A 94 -1.329 10.384 -0.278 1.00 0.20 C ATOM 1441 CD1 PHE A 94 -1.183 10.695 1.064 1.00 1.26 C ATOM 1442 CD2 PHE A 94 -2.022 9.242 -0.632 1.00 1.14 C ATOM 1443 CE1 PHE A 94 -1.724 9.880 2.035 1.00 1.27 C ATOM 1444 CE2 PHE A 94 -2.566 8.424 0.337 1.00 1.14 C ATOM 1445 CZ PHE A 94 -2.420 8.744 1.670 1.00 0.25 C ATOM 0 H PHE A 94 -2.753 12.173 -3.311 1.00 0.22 H new ATOM 0 HA PHE A 94 -1.838 13.016 -0.676 1.00 0.21 H new ATOM 0 HB2 PHE A 94 -0.649 10.703 -2.255 1.00 0.21 H new ATOM 0 HB3 PHE A 94 0.251 11.573 -1.029 1.00 0.21 H new ATOM 0 HD1 PHE A 94 -0.641 11.584 1.352 1.00 1.26 H new ATOM 0 HD2 PHE A 94 -2.139 8.988 -1.675 1.00 1.14 H new ATOM 0 HE1 PHE A 94 -1.604 10.129 3.079 1.00 1.27 H new ATOM 0 HE2 PHE A 94 -3.106 7.533 0.051 1.00 1.14 H new ATOM 0 HZ PHE A 94 -2.850 8.107 2.429 1.00 0.25 H new ATOM 1455 N PRO A 95 0.068 14.326 -1.839 1.00 0.26 N ATOM 1456 CA PRO A 95 0.933 15.270 -2.551 1.00 0.29 C ATOM 1457 C PRO A 95 2.108 14.560 -3.214 1.00 0.26 C ATOM 1458 O PRO A 95 2.944 13.962 -2.529 1.00 0.27 O ATOM 1459 CB PRO A 95 1.417 16.200 -1.442 1.00 0.36 C ATOM 1460 CG PRO A 95 1.355 15.389 -0.196 1.00 0.32 C ATOM 1461 CD PRO A 95 0.201 14.445 -0.372 1.00 0.28 C ATOM 0 HA PRO A 95 0.417 15.790 -3.358 1.00 0.29 H new ATOM 0 HB2 PRO A 95 2.432 16.548 -1.635 1.00 0.36 H new ATOM 0 HB3 PRO A 95 0.785 17.085 -1.367 1.00 0.36 H new ATOM 0 HG2 PRO A 95 2.285 14.843 -0.040 1.00 0.32 H new ATOM 0 HG3 PRO A 95 1.209 16.025 0.677 1.00 0.32 H new ATOM 0 HD2 PRO A 95 0.399 13.479 0.092 1.00 0.28 H new ATOM 0 HD3 PRO A 95 -0.709 14.836 0.082 1.00 0.28 H new ATOM 1469 N ASN A 96 2.153 14.610 -4.549 1.00 0.27 N ATOM 1470 CA ASN A 96 3.220 13.967 -5.325 1.00 0.29 C ATOM 1471 C ASN A 96 3.160 12.453 -5.142 1.00 0.28 C ATOM 1472 O ASN A 96 4.129 11.739 -5.382 1.00 0.37 O ATOM 1473 CB ASN A 96 4.594 14.504 -4.894 1.00 0.35 C ATOM 1474 CG ASN A 96 5.725 14.110 -5.833 1.00 0.77 C ATOM 1475 OD1 ASN A 96 5.580 14.137 -7.057 1.00 1.27 O ATOM 1476 ND2 ASN A 96 6.862 13.734 -5.263 1.00 1.50 N ATOM 0 H ASN A 96 1.458 15.093 -5.119 1.00 0.27 H new ATOM 0 HA ASN A 96 3.075 14.199 -6.380 1.00 0.29 H new ATOM 0 HB2 ASN A 96 4.547 15.591 -4.832 1.00 0.35 H new ATOM 0 HB3 ASN A 96 4.820 14.137 -3.893 1.00 0.35 H new ATOM 0 HD21 ASN A 96 7.654 13.454 -5.841 1.00 1.50 H new ATOM 0 HD22 ASN A 96 6.944 13.725 -4.246 1.00 1.50 H new ATOM 1483 N TYR A 97 2.001 11.971 -4.724 1.00 0.23 N ATOM 1484 CA TYR A 97 1.816 10.552 -4.486 1.00 0.21 C ATOM 1485 C TYR A 97 0.412 10.115 -4.890 1.00 0.21 C ATOM 1486 O TYR A 97 -0.586 10.595 -4.361 1.00 0.24 O ATOM 1487 CB TYR A 97 2.068 10.248 -3.007 1.00 0.22 C ATOM 1488 CG TYR A 97 2.597 8.863 -2.728 1.00 0.23 C ATOM 1489 CD1 TYR A 97 1.799 7.738 -2.902 1.00 1.14 C ATOM 1490 CD2 TYR A 97 3.894 8.683 -2.273 1.00 1.28 C ATOM 1491 CE1 TYR A 97 2.285 6.474 -2.630 1.00 1.14 C ATOM 1492 CE2 TYR A 97 4.388 7.422 -2.002 1.00 1.31 C ATOM 1493 CZ TYR A 97 3.579 6.321 -2.181 1.00 0.32 C ATOM 1494 OH TYR A 97 4.063 5.062 -1.904 1.00 0.38 O ATOM 0 H TYR A 97 1.176 12.542 -4.543 1.00 0.23 H new ATOM 0 HA TYR A 97 2.528 9.994 -5.094 1.00 0.21 H new ATOM 0 HB2 TYR A 97 2.777 10.978 -2.616 1.00 0.22 H new ATOM 0 HB3 TYR A 97 1.136 10.383 -2.459 1.00 0.22 H new ATOM 0 HD1 TYR A 97 0.785 7.854 -3.255 1.00 1.14 H new ATOM 0 HD2 TYR A 97 4.529 9.544 -2.128 1.00 1.28 H new ATOM 0 HE1 TYR A 97 1.653 5.609 -2.769 1.00 1.14 H new ATOM 0 HE2 TYR A 97 5.402 7.300 -1.652 1.00 1.31 H new ATOM 0 HH TYR A 97 4.755 4.827 -2.557 1.00 0.38 H new ATOM 1504 N HIS A 98 0.354 9.204 -5.838 1.00 0.21 N ATOM 1505 CA HIS A 98 -0.903 8.668 -6.333 1.00 0.22 C ATOM 1506 C HIS A 98 -0.934 7.172 -6.063 1.00 0.21 C ATOM 1507 O HIS A 98 -0.262 6.404 -6.748 1.00 0.24 O ATOM 1508 CB HIS A 98 -1.039 8.950 -7.831 1.00 0.25 C ATOM 1509 CG HIS A 98 -2.401 8.677 -8.396 1.00 0.52 C ATOM 1510 ND1 HIS A 98 -3.329 9.666 -8.621 1.00 0.81 N ATOM 1511 CD2 HIS A 98 -2.977 7.525 -8.812 1.00 0.81 C ATOM 1512 CE1 HIS A 98 -4.417 9.137 -9.143 1.00 1.09 C ATOM 1513 NE2 HIS A 98 -4.232 7.837 -9.274 1.00 1.09 N ATOM 0 H HIS A 98 1.179 8.811 -6.291 1.00 0.21 H new ATOM 0 HA HIS A 98 -1.740 9.145 -5.823 1.00 0.22 H new ATOM 0 HB2 HIS A 98 -0.786 9.994 -8.015 1.00 0.25 H new ATOM 0 HB3 HIS A 98 -0.309 8.345 -8.369 1.00 0.25 H new ATOM 0 HD2 HIS A 98 -2.532 6.541 -8.785 1.00 0.81 H new ATOM 0 HE1 HIS A 98 -5.311 9.677 -9.418 1.00 1.09 H new ATOM 0 HE2 HIS A 98 -4.908 7.175 -9.655 1.00 1.09 H new ATOM 1522 N HIS A 99 -1.686 6.768 -5.056 1.00 0.21 N ATOM 1523 CA HIS A 99 -1.774 5.361 -4.696 1.00 0.22 C ATOM 1524 C HIS A 99 -3.143 4.798 -5.037 1.00 0.21 C ATOM 1525 O HIS A 99 -4.163 5.289 -4.548 1.00 0.23 O ATOM 1526 CB HIS A 99 -1.482 5.174 -3.204 1.00 0.26 C ATOM 1527 CG HIS A 99 -1.272 3.747 -2.799 1.00 0.32 C ATOM 1528 ND1 HIS A 99 -0.011 3.220 -2.665 1.00 0.67 N ATOM 1529 CD2 HIS A 99 -2.185 2.789 -2.496 1.00 0.52 C ATOM 1530 CE1 HIS A 99 -0.182 1.963 -2.287 1.00 0.64 C ATOM 1531 NE2 HIS A 99 -1.480 1.659 -2.172 1.00 0.49 N ATOM 0 H HIS A 99 -2.244 7.391 -4.473 1.00 0.21 H new ATOM 0 HA HIS A 99 -1.027 4.816 -5.273 1.00 0.22 H new ATOM 0 HB2 HIS A 99 -0.594 5.750 -2.943 1.00 0.26 H new ATOM 0 HB3 HIS A 99 -2.310 5.587 -2.628 1.00 0.26 H new ATOM 0 HD2 HIS A 99 -3.260 2.897 -2.508 1.00 0.52 H new ATOM 0 HE1 HIS A 99 0.624 1.270 -2.096 1.00 0.64 H new ATOM 0 HE2 HIS A 99 -1.870 0.758 -1.896 1.00 0.49 H new ATOM 1539 N THR A 100 -3.156 3.788 -5.892 1.00 0.22 N ATOM 1540 CA THR A 100 -4.390 3.142 -6.299 1.00 0.22 C ATOM 1541 C THR A 100 -4.322 1.636 -6.079 1.00 0.23 C ATOM 1542 O THR A 100 -3.249 1.037 -6.143 1.00 0.31 O ATOM 1543 CB THR A 100 -4.694 3.410 -7.777 1.00 0.23 C ATOM 1544 OG1 THR A 100 -3.531 3.162 -8.573 1.00 0.26 O ATOM 1545 CG2 THR A 100 -5.144 4.842 -7.973 1.00 0.24 C ATOM 0 H THR A 100 -2.317 3.396 -6.320 1.00 0.22 H new ATOM 0 HA THR A 100 -5.185 3.563 -5.683 1.00 0.22 H new ATOM 0 HB THR A 100 -5.495 2.740 -8.090 1.00 0.23 H new ATOM 0 HG1 THR A 100 -3.737 3.335 -9.515 1.00 0.26 H new ATOM 0 HG21 THR A 100 -5.356 5.016 -9.028 1.00 0.24 H new ATOM 0 HG22 THR A 100 -6.045 5.024 -7.387 1.00 0.24 H new ATOM 0 HG23 THR A 100 -4.355 5.519 -7.645 1.00 0.24 H new ATOM 1553 N ALA A 101 -5.473 1.041 -5.829 1.00 0.21 N ATOM 1554 CA ALA A 101 -5.573 -0.393 -5.616 1.00 0.23 C ATOM 1555 C ALA A 101 -6.705 -0.964 -6.452 1.00 0.22 C ATOM 1556 O ALA A 101 -7.793 -0.386 -6.515 1.00 0.23 O ATOM 1557 CB ALA A 101 -5.789 -0.700 -4.141 1.00 0.26 C ATOM 0 H ALA A 101 -6.363 1.535 -5.768 1.00 0.21 H new ATOM 0 HA ALA A 101 -4.638 -0.860 -5.927 1.00 0.23 H new ATOM 0 HB1 ALA A 101 -5.862 -1.778 -4.001 1.00 0.26 H new ATOM 0 HB2 ALA A 101 -4.950 -0.314 -3.562 1.00 0.26 H new ATOM 0 HB3 ALA A 101 -6.711 -0.227 -3.802 1.00 0.26 H new ATOM 1563 N GLU A 102 -6.448 -2.087 -7.107 1.00 0.22 N ATOM 1564 CA GLU A 102 -7.449 -2.721 -7.946 1.00 0.23 C ATOM 1565 C GLU A 102 -7.189 -4.213 -8.059 1.00 0.24 C ATOM 1566 O GLU A 102 -6.163 -4.716 -7.596 1.00 0.26 O ATOM 1567 CB GLU A 102 -7.468 -2.081 -9.338 1.00 0.25 C ATOM 1568 CG GLU A 102 -6.130 -2.151 -10.055 1.00 0.33 C ATOM 1569 CD GLU A 102 -5.974 -1.072 -11.110 1.00 0.56 C ATOM 1570 OE1 GLU A 102 -5.775 0.107 -10.742 1.00 1.18 O ATOM 1571 OE2 GLU A 102 -6.059 -1.393 -12.313 1.00 1.38 O ATOM 0 H GLU A 102 -5.554 -2.576 -7.072 1.00 0.22 H new ATOM 0 HA GLU A 102 -8.424 -2.574 -7.481 1.00 0.23 H new ATOM 0 HB2 GLU A 102 -8.224 -2.577 -9.947 1.00 0.25 H new ATOM 0 HB3 GLU A 102 -7.768 -1.037 -9.245 1.00 0.25 H new ATOM 0 HG2 GLU A 102 -5.326 -2.059 -9.325 1.00 0.33 H new ATOM 0 HG3 GLU A 102 -6.024 -3.129 -10.523 1.00 0.33 H new ATOM 1578 N ILE A 103 -8.117 -4.905 -8.692 1.00 0.27 N ATOM 1579 CA ILE A 103 -8.013 -6.336 -8.876 1.00 0.29 C ATOM 1580 C ILE A 103 -7.762 -6.644 -10.341 1.00 0.31 C ATOM 1581 O ILE A 103 -8.507 -6.201 -11.214 1.00 0.36 O ATOM 1582 CB ILE A 103 -9.287 -7.076 -8.410 1.00 0.31 C ATOM 1583 CG1 ILE A 103 -9.689 -6.641 -6.995 1.00 0.33 C ATOM 1584 CG2 ILE A 103 -9.065 -8.581 -8.457 1.00 0.36 C ATOM 1585 CD1 ILE A 103 -8.707 -7.053 -5.917 1.00 0.37 C ATOM 0 H ILE A 103 -8.960 -4.491 -9.091 1.00 0.27 H new ATOM 0 HA ILE A 103 -7.181 -6.686 -8.265 1.00 0.29 H new ATOM 0 HB ILE A 103 -10.100 -6.816 -9.088 1.00 0.31 H new ATOM 0 HG12 ILE A 103 -9.797 -5.557 -6.977 1.00 0.33 H new ATOM 0 HG13 ILE A 103 -10.666 -7.063 -6.761 1.00 0.33 H new ATOM 0 HG21 ILE A 103 -9.969 -9.093 -8.127 1.00 0.36 H new ATOM 0 HG22 ILE A 103 -8.830 -8.882 -9.478 1.00 0.36 H new ATOM 0 HG23 ILE A 103 -8.237 -8.847 -7.800 1.00 0.36 H new ATOM 0 HD11 ILE A 103 -9.065 -6.707 -4.947 1.00 0.37 H new ATOM 0 HD12 ILE A 103 -8.616 -8.139 -5.904 1.00 0.37 H new ATOM 0 HD13 ILE A 103 -7.733 -6.609 -6.123 1.00 0.37 H new ATOM 1597 N SER A 104 -6.697 -7.365 -10.604 1.00 0.34 N ATOM 1598 CA SER A 104 -6.349 -7.734 -11.956 1.00 0.38 C ATOM 1599 C SER A 104 -5.996 -9.213 -12.016 1.00 0.48 C ATOM 1600 O SER A 104 -4.919 -9.624 -11.585 1.00 0.88 O ATOM 1601 CB SER A 104 -5.190 -6.867 -12.449 1.00 0.55 C ATOM 1602 OG SER A 104 -5.627 -5.542 -12.721 1.00 1.37 O ATOM 0 H SER A 104 -6.052 -7.710 -9.893 1.00 0.34 H new ATOM 0 HA SER A 104 -7.203 -7.564 -12.611 1.00 0.38 H new ATOM 0 HB2 SER A 104 -4.401 -6.847 -11.698 1.00 0.55 H new ATOM 0 HB3 SER A 104 -4.761 -7.305 -13.350 1.00 0.55 H new ATOM 0 HG SER A 104 -4.869 -5.005 -13.033 1.00 1.37 H new ATOM 1608 N GLY A 105 -6.932 -10.009 -12.516 1.00 0.53 N ATOM 1609 CA GLY A 105 -6.718 -11.438 -12.619 1.00 0.64 C ATOM 1610 C GLY A 105 -6.808 -12.123 -11.272 1.00 0.63 C ATOM 1611 O GLY A 105 -6.066 -13.067 -10.991 1.00 0.96 O ATOM 0 H GLY A 105 -7.839 -9.688 -12.853 1.00 0.53 H new ATOM 0 HA2 GLY A 105 -7.458 -11.868 -13.294 1.00 0.64 H new ATOM 0 HA3 GLY A 105 -5.738 -11.627 -13.057 1.00 0.64 H new ATOM 1615 N GLY A 106 -7.718 -11.641 -10.431 1.00 0.49 N ATOM 1616 CA GLY A 106 -7.883 -12.211 -9.107 1.00 0.50 C ATOM 1617 C GLY A 106 -6.711 -11.880 -8.208 1.00 0.44 C ATOM 1618 O GLY A 106 -6.465 -12.558 -7.212 1.00 0.48 O ATOM 0 H GLY A 106 -8.345 -10.865 -10.644 1.00 0.49 H new ATOM 0 HA2 GLY A 106 -8.803 -11.834 -8.660 1.00 0.50 H new ATOM 0 HA3 GLY A 106 -7.987 -13.293 -9.186 1.00 0.50 H new ATOM 1622 N LYS A 107 -5.976 -10.845 -8.580 1.00 0.38 N ATOM 1623 CA LYS A 107 -4.816 -10.411 -7.824 1.00 0.35 C ATOM 1624 C LYS A 107 -4.909 -8.928 -7.502 1.00 0.32 C ATOM 1625 O LYS A 107 -5.480 -8.149 -8.267 1.00 0.33 O ATOM 1626 CB LYS A 107 -3.536 -10.688 -8.615 1.00 0.34 C ATOM 1627 CG LYS A 107 -2.954 -12.064 -8.370 1.00 0.38 C ATOM 1628 CD LYS A 107 -2.043 -12.488 -9.510 1.00 0.66 C ATOM 1629 CE LYS A 107 -1.631 -13.946 -9.379 1.00 0.75 C ATOM 1630 NZ LYS A 107 -1.143 -14.509 -10.665 1.00 1.22 N ATOM 0 H LYS A 107 -6.167 -10.285 -9.411 1.00 0.38 H new ATOM 0 HA LYS A 107 -4.789 -10.971 -6.889 1.00 0.35 H new ATOM 0 HB2 LYS A 107 -3.746 -10.576 -9.679 1.00 0.34 H new ATOM 0 HB3 LYS A 107 -2.790 -9.937 -8.356 1.00 0.34 H new ATOM 0 HG2 LYS A 107 -2.394 -12.063 -7.435 1.00 0.38 H new ATOM 0 HG3 LYS A 107 -3.761 -12.788 -8.258 1.00 0.38 H new ATOM 0 HD2 LYS A 107 -2.554 -12.337 -10.461 1.00 0.66 H new ATOM 0 HD3 LYS A 107 -1.154 -11.857 -9.521 1.00 0.66 H new ATOM 0 HE2 LYS A 107 -0.848 -14.034 -8.625 1.00 0.75 H new ATOM 0 HE3 LYS A 107 -2.480 -14.532 -9.027 1.00 0.75 H new ATOM 0 HZ1 LYS A 107 -0.873 -15.504 -10.528 1.00 1.22 H new ATOM 0 HZ2 LYS A 107 -1.897 -14.450 -11.378 1.00 1.22 H new ATOM 0 HZ3 LYS A 107 -0.316 -13.968 -10.989 1.00 1.22 H new ATOM 1644 N LEU A 108 -4.335 -8.549 -6.375 1.00 0.30 N ATOM 1645 CA LEU A 108 -4.332 -7.166 -5.932 1.00 0.28 C ATOM 1646 C LEU A 108 -3.092 -6.475 -6.461 1.00 0.27 C ATOM 1647 O LEU A 108 -1.974 -6.909 -6.200 1.00 0.29 O ATOM 1648 CB LEU A 108 -4.363 -7.130 -4.394 1.00 0.29 C ATOM 1649 CG LEU A 108 -4.452 -5.754 -3.719 1.00 0.34 C ATOM 1650 CD1 LEU A 108 -3.076 -5.126 -3.580 1.00 0.82 C ATOM 1651 CD2 LEU A 108 -5.392 -4.829 -4.475 1.00 0.76 C ATOM 0 H LEU A 108 -3.858 -9.190 -5.741 1.00 0.30 H new ATOM 0 HA LEU A 108 -5.210 -6.645 -6.313 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -5.214 -7.724 -4.061 1.00 0.29 H new ATOM 0 HB3 LEU A 108 -3.465 -7.627 -4.028 1.00 0.29 H new ATOM 0 HG LEU A 108 -4.860 -5.903 -2.719 1.00 0.34 H new ATOM 0 HD11 LEU A 108 -3.167 -4.152 -3.099 1.00 0.82 H new ATOM 0 HD12 LEU A 108 -2.441 -5.772 -2.974 1.00 0.82 H new ATOM 0 HD13 LEU A 108 -2.631 -5.003 -4.567 1.00 0.82 H new ATOM 0 HD21 LEU A 108 -5.434 -3.863 -3.972 1.00 0.76 H new ATOM 0 HD22 LEU A 108 -5.028 -4.693 -5.493 1.00 0.76 H new ATOM 0 HD23 LEU A 108 -6.390 -5.267 -4.502 1.00 0.76 H new ATOM 1663 N VAL A 109 -3.291 -5.430 -7.228 1.00 0.28 N ATOM 1664 CA VAL A 109 -2.183 -4.680 -7.774 1.00 0.29 C ATOM 1665 C VAL A 109 -2.286 -3.217 -7.362 1.00 0.29 C ATOM 1666 O VAL A 109 -3.231 -2.512 -7.723 1.00 0.33 O ATOM 1667 CB VAL A 109 -2.089 -4.818 -9.315 1.00 0.30 C ATOM 1668 CG1 VAL A 109 -3.443 -4.597 -9.974 1.00 0.33 C ATOM 1669 CG2 VAL A 109 -1.044 -3.860 -9.884 1.00 0.32 C ATOM 0 H VAL A 109 -4.212 -5.078 -7.489 1.00 0.28 H new ATOM 0 HA VAL A 109 -1.264 -5.098 -7.363 1.00 0.29 H new ATOM 0 HB VAL A 109 -1.774 -5.837 -9.538 1.00 0.30 H new ATOM 0 HG11 VAL A 109 -3.343 -4.701 -11.054 1.00 0.33 H new ATOM 0 HG12 VAL A 109 -4.153 -5.336 -9.603 1.00 0.33 H new ATOM 0 HG13 VAL A 109 -3.804 -3.596 -9.737 1.00 0.33 H new ATOM 0 HG21 VAL A 109 -0.996 -3.975 -10.967 1.00 0.32 H new ATOM 0 HG22 VAL A 109 -1.320 -2.834 -9.640 1.00 0.32 H new ATOM 0 HG23 VAL A 109 -0.069 -4.086 -9.452 1.00 0.32 H new ATOM 1679 N GLU A 110 -1.335 -2.784 -6.556 1.00 0.28 N ATOM 1680 CA GLU A 110 -1.300 -1.410 -6.092 1.00 0.30 C ATOM 1681 C GLU A 110 -0.333 -0.605 -6.937 1.00 0.28 C ATOM 1682 O GLU A 110 0.765 -1.073 -7.256 1.00 0.34 O ATOM 1683 CB GLU A 110 -0.889 -1.338 -4.622 1.00 0.34 C ATOM 1684 CG GLU A 110 -1.978 -1.773 -3.656 1.00 0.71 C ATOM 1685 CD GLU A 110 -1.436 -2.008 -2.266 1.00 1.02 C ATOM 1686 OE1 GLU A 110 -0.859 -3.088 -2.027 1.00 1.45 O ATOM 1687 OE2 GLU A 110 -1.543 -1.098 -1.417 1.00 1.69 O ATOM 0 H GLU A 110 -0.574 -3.367 -6.208 1.00 0.28 H new ATOM 0 HA GLU A 110 -2.302 -0.991 -6.188 1.00 0.30 H new ATOM 0 HB2 GLU A 110 -0.010 -1.965 -4.470 1.00 0.34 H new ATOM 0 HB3 GLU A 110 -0.596 -0.315 -4.387 1.00 0.34 H new ATOM 0 HG2 GLU A 110 -2.756 -1.010 -3.618 1.00 0.71 H new ATOM 0 HG3 GLU A 110 -2.445 -2.687 -4.023 1.00 0.71 H new ATOM 1694 N ILE A 111 -0.750 0.588 -7.307 1.00 0.26 N ATOM 1695 CA ILE A 111 0.071 1.471 -8.111 1.00 0.24 C ATOM 1696 C ILE A 111 0.334 2.764 -7.345 1.00 0.25 C ATOM 1697 O ILE A 111 -0.597 3.446 -6.924 1.00 0.30 O ATOM 1698 CB ILE A 111 -0.591 1.791 -9.473 1.00 0.26 C ATOM 1699 CG1 ILE A 111 -0.882 0.505 -10.251 1.00 0.29 C ATOM 1700 CG2 ILE A 111 0.306 2.699 -10.296 1.00 0.29 C ATOM 1701 CD1 ILE A 111 -2.330 0.070 -10.201 1.00 0.37 C ATOM 0 H ILE A 111 -1.662 0.972 -7.061 1.00 0.26 H new ATOM 0 HA ILE A 111 1.013 0.961 -8.314 1.00 0.24 H new ATOM 0 HB ILE A 111 -1.534 2.302 -9.279 1.00 0.26 H new ATOM 0 HG12 ILE A 111 -0.592 0.649 -11.292 1.00 0.29 H new ATOM 0 HG13 ILE A 111 -0.259 -0.296 -9.854 1.00 0.29 H new ATOM 0 HG21 ILE A 111 -0.173 2.915 -11.251 1.00 0.29 H new ATOM 0 HG22 ILE A 111 0.475 3.630 -9.756 1.00 0.29 H new ATOM 0 HG23 ILE A 111 1.261 2.204 -10.473 1.00 0.29 H new ATOM 0 HD11 ILE A 111 -2.454 -0.848 -10.776 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -2.621 -0.108 -9.166 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -2.960 0.852 -10.626 1.00 0.37 H new ATOM 1713 N SER A 112 1.601 3.083 -7.160 1.00 0.23 N ATOM 1714 CA SER A 112 1.995 4.275 -6.435 1.00 0.24 C ATOM 1715 C SER A 112 2.889 5.135 -7.310 1.00 0.22 C ATOM 1716 O SER A 112 3.922 4.678 -7.794 1.00 0.25 O ATOM 1717 CB SER A 112 2.730 3.893 -5.149 1.00 0.28 C ATOM 1718 OG SER A 112 2.160 2.736 -4.553 1.00 0.37 O ATOM 0 H SER A 112 2.382 2.526 -7.506 1.00 0.23 H new ATOM 0 HA SER A 112 1.102 4.841 -6.171 1.00 0.24 H new ATOM 0 HB2 SER A 112 3.782 3.711 -5.369 1.00 0.28 H new ATOM 0 HB3 SER A 112 2.691 4.724 -4.445 1.00 0.28 H new ATOM 0 HG SER A 112 1.445 3.003 -3.938 1.00 0.37 H new ATOM 1724 N THR A 113 2.488 6.370 -7.527 1.00 0.22 N ATOM 1725 CA THR A 113 3.259 7.278 -8.355 1.00 0.22 C ATOM 1726 C THR A 113 3.840 8.425 -7.544 1.00 0.23 C ATOM 1727 O THR A 113 3.162 8.995 -6.692 1.00 0.26 O ATOM 1728 CB THR A 113 2.384 7.852 -9.471 1.00 0.25 C ATOM 1729 OG1 THR A 113 1.331 6.927 -9.771 1.00 0.27 O ATOM 1730 CG2 THR A 113 3.213 8.116 -10.717 1.00 0.27 C ATOM 0 H THR A 113 1.632 6.770 -7.142 1.00 0.22 H new ATOM 0 HA THR A 113 4.081 6.704 -8.782 1.00 0.22 H new ATOM 0 HB THR A 113 1.957 8.797 -9.136 1.00 0.25 H new ATOM 0 HG1 THR A 113 0.768 7.293 -10.485 1.00 0.27 H new ATOM 0 HG21 THR A 113 2.574 8.524 -11.500 1.00 0.27 H new ATOM 0 HG22 THR A 113 4.002 8.831 -10.484 1.00 0.27 H new ATOM 0 HG23 THR A 113 3.659 7.183 -11.062 1.00 0.27 H new ATOM 1738 N SER A 114 5.097 8.742 -7.809 1.00 0.25 N ATOM 1739 CA SER A 114 5.779 9.831 -7.130 1.00 0.30 C ATOM 1740 C SER A 114 6.827 10.453 -8.040 1.00 0.29 C ATOM 1741 O SER A 114 7.824 9.813 -8.390 1.00 0.30 O ATOM 1742 CB SER A 114 6.431 9.342 -5.836 1.00 0.38 C ATOM 1743 OG SER A 114 5.461 8.789 -4.966 1.00 1.43 O ATOM 0 H SER A 114 5.671 8.254 -8.497 1.00 0.25 H new ATOM 0 HA SER A 114 5.037 10.589 -6.878 1.00 0.30 H new ATOM 0 HB2 SER A 114 7.190 8.594 -6.065 1.00 0.38 H new ATOM 0 HB3 SER A 114 6.939 10.171 -5.343 1.00 0.38 H new ATOM 0 HG SER A 114 5.622 7.828 -4.865 1.00 1.43 H new ATOM 1749 N SER A 115 6.574 11.691 -8.434 1.00 0.37 N ATOM 1750 CA SER A 115 7.467 12.446 -9.304 1.00 0.47 C ATOM 1751 C SER A 115 7.719 11.732 -10.636 1.00 0.47 C ATOM 1752 O SER A 115 8.839 11.724 -11.150 1.00 0.57 O ATOM 1753 CB SER A 115 8.782 12.753 -8.586 1.00 0.54 C ATOM 1754 OG SER A 115 8.577 13.679 -7.530 1.00 0.63 O ATOM 0 H SER A 115 5.738 12.205 -8.158 1.00 0.37 H new ATOM 0 HA SER A 115 6.972 13.388 -9.541 1.00 0.47 H new ATOM 0 HB2 SER A 115 9.209 11.832 -8.190 1.00 0.54 H new ATOM 0 HB3 SER A 115 9.503 13.158 -9.296 1.00 0.54 H new ATOM 0 HG SER A 115 9.430 13.860 -7.083 1.00 0.63 H new ATOM 1760 N GLY A 116 6.670 11.127 -11.186 1.00 0.42 N ATOM 1761 CA GLY A 116 6.784 10.458 -12.472 1.00 0.46 C ATOM 1762 C GLY A 116 7.023 8.961 -12.379 1.00 0.40 C ATOM 1763 O GLY A 116 6.628 8.214 -13.273 1.00 0.46 O ATOM 0 H GLY A 116 5.742 11.088 -10.764 1.00 0.42 H new ATOM 0 HA2 GLY A 116 5.872 10.634 -13.042 1.00 0.46 H new ATOM 0 HA3 GLY A 116 7.602 10.911 -13.033 1.00 0.46 H new ATOM 1767 N VAL A 117 7.667 8.508 -11.312 1.00 0.33 N ATOM 1768 CA VAL A 117 7.948 7.081 -11.161 1.00 0.29 C ATOM 1769 C VAL A 117 6.707 6.317 -10.721 1.00 0.28 C ATOM 1770 O VAL A 117 6.071 6.661 -9.722 1.00 0.29 O ATOM 1771 CB VAL A 117 9.103 6.818 -10.171 1.00 0.30 C ATOM 1772 CG1 VAL A 117 9.297 5.323 -9.949 1.00 0.52 C ATOM 1773 CG2 VAL A 117 10.387 7.440 -10.693 1.00 0.53 C ATOM 0 H VAL A 117 8.001 9.095 -10.548 1.00 0.33 H new ATOM 0 HA VAL A 117 8.256 6.721 -12.143 1.00 0.29 H new ATOM 0 HB VAL A 117 8.847 7.275 -9.215 1.00 0.30 H new ATOM 0 HG11 VAL A 117 10.116 5.163 -9.248 1.00 0.52 H new ATOM 0 HG12 VAL A 117 8.382 4.894 -9.542 1.00 0.52 H new ATOM 0 HG13 VAL A 117 9.532 4.842 -10.898 1.00 0.52 H new ATOM 0 HG21 VAL A 117 11.196 7.249 -9.988 1.00 0.53 H new ATOM 0 HG22 VAL A 117 10.637 7.002 -11.659 1.00 0.53 H new ATOM 0 HG23 VAL A 117 10.250 8.515 -10.806 1.00 0.53 H new ATOM 1783 N VAL A 118 6.362 5.288 -11.488 1.00 0.27 N ATOM 1784 CA VAL A 118 5.203 4.463 -11.193 1.00 0.27 C ATOM 1785 C VAL A 118 5.632 3.132 -10.594 1.00 0.25 C ATOM 1786 O VAL A 118 6.233 2.295 -11.270 1.00 0.29 O ATOM 1787 CB VAL A 118 4.357 4.191 -12.455 1.00 0.29 C ATOM 1788 CG1 VAL A 118 3.113 3.392 -12.102 1.00 0.97 C ATOM 1789 CG2 VAL A 118 3.981 5.498 -13.130 1.00 0.86 C ATOM 0 H VAL A 118 6.875 5.007 -12.324 1.00 0.27 H new ATOM 0 HA VAL A 118 4.595 5.015 -10.476 1.00 0.27 H new ATOM 0 HB VAL A 118 4.953 3.602 -13.152 1.00 0.29 H new ATOM 0 HG11 VAL A 118 2.529 3.210 -13.004 1.00 0.97 H new ATOM 0 HG12 VAL A 118 3.406 2.439 -11.661 1.00 0.97 H new ATOM 0 HG13 VAL A 118 2.511 3.953 -11.387 1.00 0.97 H new ATOM 0 HG21 VAL A 118 3.385 5.290 -14.018 1.00 0.86 H new ATOM 0 HG22 VAL A 118 3.402 6.111 -12.439 1.00 0.86 H new ATOM 0 HG23 VAL A 118 4.886 6.033 -13.418 1.00 0.86 H new ATOM 1799 N TYR A 119 5.330 2.955 -9.323 1.00 0.22 N ATOM 1800 CA TYR A 119 5.665 1.732 -8.611 1.00 0.21 C ATOM 1801 C TYR A 119 4.435 0.843 -8.520 1.00 0.22 C ATOM 1802 O TYR A 119 3.349 1.310 -8.180 1.00 0.29 O ATOM 1803 CB TYR A 119 6.202 2.063 -7.216 1.00 0.22 C ATOM 1804 CG TYR A 119 6.040 0.962 -6.192 1.00 0.21 C ATOM 1805 CD1 TYR A 119 6.640 -0.280 -6.361 1.00 1.21 C ATOM 1806 CD2 TYR A 119 5.283 1.172 -5.051 1.00 1.17 C ATOM 1807 CE1 TYR A 119 6.488 -1.278 -5.418 1.00 1.22 C ATOM 1808 CE2 TYR A 119 5.129 0.185 -4.104 1.00 1.20 C ATOM 1809 CZ TYR A 119 5.731 -1.039 -4.289 1.00 0.34 C ATOM 1810 OH TYR A 119 5.581 -2.025 -3.338 1.00 0.43 O ATOM 0 H TYR A 119 4.847 3.650 -8.754 1.00 0.22 H new ATOM 0 HA TYR A 119 6.444 1.198 -9.155 1.00 0.21 H new ATOM 0 HB2 TYR A 119 7.261 2.308 -7.299 1.00 0.22 H new ATOM 0 HB3 TYR A 119 5.695 2.956 -6.850 1.00 0.22 H new ATOM 0 HD1 TYR A 119 7.234 -0.468 -7.243 1.00 1.21 H new ATOM 0 HD2 TYR A 119 4.804 2.129 -4.902 1.00 1.17 H new ATOM 0 HE1 TYR A 119 6.959 -2.239 -5.563 1.00 1.22 H new ATOM 0 HE2 TYR A 119 4.538 0.370 -3.219 1.00 1.20 H new ATOM 0 HH TYR A 119 6.456 -2.251 -2.960 1.00 0.43 H new ATOM 1820 N LYS A 120 4.593 -0.425 -8.852 1.00 0.21 N ATOM 1821 CA LYS A 120 3.491 -1.356 -8.810 1.00 0.23 C ATOM 1822 C LYS A 120 3.869 -2.617 -8.056 1.00 0.24 C ATOM 1823 O LYS A 120 5.035 -3.001 -8.013 1.00 0.29 O ATOM 1824 CB LYS A 120 3.092 -1.710 -10.234 1.00 0.28 C ATOM 1825 CG LYS A 120 2.659 -0.508 -11.049 1.00 0.31 C ATOM 1826 CD LYS A 120 2.866 -0.736 -12.535 1.00 0.46 C ATOM 1827 CE LYS A 120 1.983 -1.857 -13.051 1.00 0.87 C ATOM 1828 NZ LYS A 120 2.504 -2.426 -14.320 1.00 1.17 N ATOM 0 H LYS A 120 5.479 -0.831 -9.154 1.00 0.21 H new ATOM 0 HA LYS A 120 2.655 -0.889 -8.288 1.00 0.23 H new ATOM 0 HB2 LYS A 120 3.933 -2.194 -10.731 1.00 0.28 H new ATOM 0 HB3 LYS A 120 2.278 -2.435 -10.207 1.00 0.28 H new ATOM 0 HG2 LYS A 120 1.607 -0.297 -10.856 1.00 0.31 H new ATOM 0 HG3 LYS A 120 3.224 0.369 -10.733 1.00 0.31 H new ATOM 0 HD2 LYS A 120 2.646 0.182 -13.080 1.00 0.46 H new ATOM 0 HD3 LYS A 120 3.912 -0.977 -12.726 1.00 0.46 H new ATOM 0 HE2 LYS A 120 1.917 -2.644 -12.299 1.00 0.87 H new ATOM 0 HE3 LYS A 120 0.972 -1.481 -13.209 1.00 0.87 H new ATOM 0 HZ1 LYS A 120 1.875 -3.189 -14.642 1.00 1.17 H new ATOM 0 HZ2 LYS A 120 2.543 -1.681 -15.044 1.00 1.17 H new ATOM 0 HZ3 LYS A 120 3.459 -2.807 -14.163 1.00 1.17 H new ATOM 1842 N ARG A 121 2.884 -3.242 -7.439 1.00 0.25 N ATOM 1843 CA ARG A 121 3.108 -4.480 -6.711 1.00 0.28 C ATOM 1844 C ARG A 121 1.896 -5.391 -6.840 1.00 0.28 C ATOM 1845 O ARG A 121 0.756 -4.960 -6.653 1.00 0.34 O ATOM 1846 CB ARG A 121 3.439 -4.218 -5.238 1.00 0.36 C ATOM 1847 CG ARG A 121 2.361 -3.463 -4.473 1.00 0.59 C ATOM 1848 CD ARG A 121 2.647 -3.466 -2.984 1.00 0.84 C ATOM 1849 NE ARG A 121 1.720 -2.610 -2.249 1.00 1.20 N ATOM 1850 CZ ARG A 121 2.052 -1.448 -1.694 1.00 1.59 C ATOM 1851 NH1 ARG A 121 3.291 -0.982 -1.802 1.00 1.88 N ATOM 1852 NH2 ARG A 121 1.138 -0.736 -1.047 1.00 2.48 N ATOM 0 H ARG A 121 1.919 -2.913 -7.427 1.00 0.25 H new ATOM 0 HA ARG A 121 3.971 -4.978 -7.152 1.00 0.28 H new ATOM 0 HB2 ARG A 121 3.616 -5.173 -4.743 1.00 0.36 H new ATOM 0 HB3 ARG A 121 4.369 -3.653 -5.183 1.00 0.36 H new ATOM 0 HG2 ARG A 121 2.306 -2.436 -4.834 1.00 0.59 H new ATOM 0 HG3 ARG A 121 1.389 -3.920 -4.661 1.00 0.59 H new ATOM 0 HD2 ARG A 121 2.579 -4.485 -2.604 1.00 0.84 H new ATOM 0 HD3 ARG A 121 3.669 -3.128 -2.810 1.00 0.84 H new ATOM 0 HE ARG A 121 0.754 -2.924 -2.155 1.00 1.20 H new ATOM 0 HH11 ARG A 121 3.994 -1.516 -2.313 1.00 1.88 H new ATOM 0 HH12 ARG A 121 3.540 -0.090 -1.374 1.00 1.88 H new ATOM 0 HH21 ARG A 121 0.180 -1.080 -0.975 1.00 2.48 H new ATOM 0 HH22 ARG A 121 1.393 0.155 -0.621 1.00 2.48 H new ATOM 1866 N THR A 122 2.152 -6.638 -7.180 1.00 0.27 N ATOM 1867 CA THR A 122 1.102 -7.619 -7.349 1.00 0.27 C ATOM 1868 C THR A 122 1.056 -8.568 -6.160 1.00 0.25 C ATOM 1869 O THR A 122 2.069 -9.172 -5.801 1.00 0.29 O ATOM 1870 CB THR A 122 1.325 -8.438 -8.631 1.00 0.31 C ATOM 1871 OG1 THR A 122 1.704 -7.573 -9.710 1.00 0.43 O ATOM 1872 CG2 THR A 122 0.071 -9.207 -9.004 1.00 0.34 C ATOM 0 H THR A 122 3.092 -6.998 -7.346 1.00 0.27 H new ATOM 0 HA THR A 122 0.157 -7.081 -7.421 1.00 0.27 H new ATOM 0 HB THR A 122 2.127 -9.152 -8.444 1.00 0.31 H new ATOM 0 HG1 THR A 122 1.845 -8.104 -10.521 1.00 0.43 H new ATOM 0 HG21 THR A 122 0.252 -9.779 -9.914 1.00 0.34 H new ATOM 0 HG22 THR A 122 -0.193 -9.887 -8.194 1.00 0.34 H new ATOM 0 HG23 THR A 122 -0.748 -8.508 -9.172 1.00 0.34 H new ATOM 1880 N SER A 123 -0.107 -8.682 -5.539 1.00 0.24 N ATOM 1881 CA SER A 123 -0.278 -9.570 -4.412 1.00 0.23 C ATOM 1882 C SER A 123 -1.416 -10.549 -4.690 1.00 0.23 C ATOM 1883 O SER A 123 -2.451 -10.171 -5.236 1.00 0.25 O ATOM 1884 CB SER A 123 -0.550 -8.758 -3.149 1.00 0.25 C ATOM 1885 OG SER A 123 0.453 -7.773 -2.954 1.00 0.38 O ATOM 0 H SER A 123 -0.947 -8.166 -5.802 1.00 0.24 H new ATOM 0 HA SER A 123 0.636 -10.144 -4.259 1.00 0.23 H new ATOM 0 HB2 SER A 123 -1.526 -8.279 -3.223 1.00 0.25 H new ATOM 0 HB3 SER A 123 -0.586 -9.422 -2.286 1.00 0.25 H new ATOM 0 HG SER A 123 0.257 -7.264 -2.140 1.00 0.38 H new ATOM 1891 N LYS A 124 -1.207 -11.807 -4.343 1.00 0.23 N ATOM 1892 CA LYS A 124 -2.216 -12.840 -4.562 1.00 0.25 C ATOM 1893 C LYS A 124 -3.284 -12.812 -3.466 1.00 0.22 C ATOM 1894 O LYS A 124 -3.053 -12.286 -2.379 1.00 0.21 O ATOM 1895 CB LYS A 124 -1.553 -14.215 -4.615 1.00 0.29 C ATOM 1896 CG LYS A 124 -0.700 -14.522 -3.398 1.00 0.31 C ATOM 1897 CD LYS A 124 -0.051 -15.892 -3.499 1.00 0.43 C ATOM 1898 CE LYS A 124 1.220 -15.979 -2.662 1.00 0.61 C ATOM 1899 NZ LYS A 124 2.369 -15.281 -3.305 1.00 1.45 N ATOM 0 H LYS A 124 -0.348 -12.143 -3.908 1.00 0.23 H new ATOM 0 HA LYS A 124 -2.706 -12.640 -5.515 1.00 0.25 H new ATOM 0 HB2 LYS A 124 -2.325 -14.979 -4.710 1.00 0.29 H new ATOM 0 HB3 LYS A 124 -0.932 -14.276 -5.509 1.00 0.29 H new ATOM 0 HG2 LYS A 124 0.072 -13.760 -3.293 1.00 0.31 H new ATOM 0 HG3 LYS A 124 -1.317 -14.476 -2.500 1.00 0.31 H new ATOM 0 HD2 LYS A 124 -0.757 -16.654 -3.168 1.00 0.43 H new ATOM 0 HD3 LYS A 124 0.185 -16.107 -4.541 1.00 0.43 H new ATOM 0 HE2 LYS A 124 1.036 -15.543 -1.680 1.00 0.61 H new ATOM 0 HE3 LYS A 124 1.477 -17.026 -2.503 1.00 0.61 H new ATOM 0 HZ1 LYS A 124 3.184 -15.925 -3.353 1.00 1.45 H new ATOM 0 HZ2 LYS A 124 2.103 -14.988 -4.267 1.00 1.45 H new ATOM 0 HZ3 LYS A 124 2.623 -14.442 -2.745 1.00 1.45 H new ATOM 1913 N LYS A 125 -4.449 -13.379 -3.765 1.00 0.24 N ATOM 1914 CA LYS A 125 -5.554 -13.421 -2.810 1.00 0.23 C ATOM 1915 C LYS A 125 -5.602 -14.783 -2.122 1.00 0.25 C ATOM 1916 O LYS A 125 -5.724 -15.819 -2.773 1.00 0.31 O ATOM 1917 CB LYS A 125 -6.898 -13.142 -3.495 1.00 0.27 C ATOM 1918 CG LYS A 125 -7.899 -12.402 -2.603 1.00 0.29 C ATOM 1919 CD LYS A 125 -8.419 -13.274 -1.467 1.00 0.38 C ATOM 1920 CE LYS A 125 -9.836 -13.764 -1.725 1.00 0.39 C ATOM 1921 NZ LYS A 125 -10.812 -12.641 -1.834 1.00 1.45 N ATOM 0 H LYS A 125 -4.653 -13.817 -4.663 1.00 0.24 H new ATOM 0 HA LYS A 125 -5.381 -12.642 -2.068 1.00 0.23 H new ATOM 0 HB2 LYS A 125 -6.722 -12.553 -4.395 1.00 0.27 H new ATOM 0 HB3 LYS A 125 -7.337 -14.087 -3.813 1.00 0.27 H new ATOM 0 HG2 LYS A 125 -7.424 -11.514 -2.187 1.00 0.29 H new ATOM 0 HG3 LYS A 125 -8.738 -12.060 -3.209 1.00 0.29 H new ATOM 0 HD2 LYS A 125 -7.758 -14.131 -1.336 1.00 0.38 H new ATOM 0 HD3 LYS A 125 -8.395 -12.708 -0.536 1.00 0.38 H new ATOM 0 HE2 LYS A 125 -9.854 -14.349 -2.645 1.00 0.39 H new ATOM 0 HE3 LYS A 125 -10.140 -14.430 -0.918 1.00 0.39 H new ATOM 0 HZ1 LYS A 125 -11.757 -12.974 -1.555 1.00 1.45 H new ATOM 0 HZ2 LYS A 125 -10.519 -11.864 -1.207 1.00 1.45 H new ATOM 0 HZ3 LYS A 125 -10.841 -12.301 -2.816 1.00 1.45 H new ATOM 1935 N ILE A 126 -5.497 -14.761 -0.807 1.00 0.24 N ATOM 1936 CA ILE A 126 -5.522 -15.972 0.001 1.00 0.28 C ATOM 1937 C ILE A 126 -6.295 -15.711 1.286 1.00 0.30 C ATOM 1938 O ILE A 126 -6.650 -14.569 1.565 1.00 0.28 O ATOM 1939 CB ILE A 126 -4.104 -16.477 0.369 1.00 0.29 C ATOM 1940 CG1 ILE A 126 -3.016 -15.781 -0.452 1.00 0.28 C ATOM 1941 CG2 ILE A 126 -4.015 -17.981 0.173 1.00 0.35 C ATOM 1942 CD1 ILE A 126 -2.446 -14.555 0.222 1.00 0.27 C ATOM 0 H ILE A 126 -5.392 -13.903 -0.265 1.00 0.24 H new ATOM 0 HA ILE A 126 -6.005 -16.743 -0.599 1.00 0.28 H new ATOM 0 HB ILE A 126 -3.935 -16.234 1.418 1.00 0.29 H new ATOM 0 HG12 ILE A 126 -2.209 -16.488 -0.645 1.00 0.28 H new ATOM 0 HG13 ILE A 126 -3.428 -15.496 -1.420 1.00 0.28 H new ATOM 0 HG21 ILE A 126 -3.014 -18.323 0.435 1.00 0.35 H new ATOM 0 HG22 ILE A 126 -4.746 -18.475 0.812 1.00 0.35 H new ATOM 0 HG23 ILE A 126 -4.221 -18.225 -0.869 1.00 0.35 H new ATOM 0 HD11 ILE A 126 -1.681 -14.112 -0.415 1.00 0.27 H new ATOM 0 HD12 ILE A 126 -3.242 -13.830 0.391 1.00 0.27 H new ATOM 0 HD13 ILE A 126 -2.004 -14.838 1.177 1.00 0.27 H new ATOM 1954 N ALA A 127 -6.619 -16.760 2.022 1.00 0.38 N ATOM 1955 CA ALA A 127 -7.332 -16.616 3.280 1.00 0.44 C ATOM 1956 C ALA A 127 -6.864 -17.682 4.261 1.00 0.67 C ATOM 1957 O ALA A 127 -5.706 -17.603 4.713 1.00 1.27 O ATOM 1958 CB ALA A 127 -8.842 -16.688 3.065 1.00 0.46 C ATOM 0 H ALA A 127 -6.399 -17.723 1.769 1.00 0.38 H new ATOM 0 HA ALA A 127 -7.111 -15.635 3.700 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -9.351 -16.577 4.022 1.00 0.46 H new ATOM 0 HB2 ALA A 127 -9.153 -15.887 2.394 1.00 0.46 H new ATOM 0 HB3 ALA A 127 -9.101 -17.651 2.625 1.00 0.46 H new