USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 610 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 60 MET CE :methyl -162:sc= -0.842 (180deg=-2.31!) USER MOD Set 1.2: A 80 MET CE :methyl 177:sc= -4.29! (180deg=-4.61!) USER MOD Set 1.3: A 84 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 35 CYS SG : rot 33:sc= 0.753 USER MOD Set 2.2: A 69 SER OG : rot -121:sc= 1.44 USER MOD Set 2.3: A 71 THR OG1 : rot 138:sc= 0.175 USER MOD Set 3.1: A 45 MET CE :methyl -91:sc= -0.847 (180deg=-0.0991) USER MOD Set 3.2: A 50 GLN : amide:sc=-0.00932 K(o=-2.9,f=-4.1) USER MOD Set 3.3: A 81 MET CE :methyl -110:sc= -2.09 (180deg=-3.26!) USER MOD Set 4.1: A 38 THR OG1 : rot -160:sc= -1.4 USER MOD Set 4.2: A 58 GLN : amide:sc= -1.58 K(o=-3,f=-5.1!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -144:sc= -0.592 (180deg=-1.34) USER MOD Single : A 11 GLN : amide:sc= -0.0565 X(o=-0.057,f=0) USER MOD Single : A 13 THR OG1 : rot 83:sc= 0.141 USER MOD Single : A 16 GLN : amide:sc= -1.09 K(o=-1.1,f=-6.1!) USER MOD Single : A 17 LYS NZ :NH3+ 169:sc= -0.64 (180deg=-0.846) USER MOD Single : A 18 ASN : amide:sc= -0.0487 X(o=-0.049,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.0272) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= -0.0381 (180deg=-0.112) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 154:sc= -0.567 (180deg=-2.36!) USER MOD Single : A 51 ASN : amide:sc= -1.8 K(o=-1.8,f=-3) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.17 USER MOD Single : A 85 MET CE :methyl -144:sc= -0.878 (180deg=-2.96!) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR A 5 78.444 -3.668 8.940 1.00 1.29 N ATOM 64 CA TYR A 5 77.679 -3.175 7.761 1.00 1.15 C ATOM 65 C TYR A 5 78.236 -1.828 7.291 1.00 1.04 C ATOM 66 O TYR A 5 78.256 -1.533 6.113 1.00 1.02 O ATOM 67 CB TYR A 5 76.241 -3.022 8.260 1.00 1.16 C ATOM 68 CG TYR A 5 75.686 -4.381 8.612 1.00 1.39 C ATOM 69 CD1 TYR A 5 75.244 -5.240 7.599 1.00 1.89 C ATOM 70 CD2 TYR A 5 75.618 -4.784 9.950 1.00 1.97 C ATOM 71 CE1 TYR A 5 74.731 -6.501 7.926 1.00 2.12 C ATOM 72 CE2 TYR A 5 75.106 -6.045 10.278 1.00 2.21 C ATOM 73 CZ TYR A 5 74.662 -6.904 9.265 1.00 1.97 C ATOM 74 OH TYR A 5 74.158 -8.147 9.588 1.00 2.28 O ATOM 0 HA TYR A 5 77.745 -3.855 6.911 1.00 1.15 H new ATOM 0 HB2 TYR A 5 76.214 -2.369 9.132 1.00 1.16 H new ATOM 0 HB3 TYR A 5 75.626 -2.553 7.492 1.00 1.16 H new ATOM 0 HD1 TYR A 5 75.299 -4.930 6.566 1.00 1.89 H new ATOM 0 HD2 TYR A 5 75.961 -4.121 10.731 1.00 1.97 H new ATOM 0 HE1 TYR A 5 74.388 -7.163 7.145 1.00 2.12 H new ATOM 0 HE2 TYR A 5 75.053 -6.355 11.311 1.00 2.21 H new ATOM 0 HH TYR A 5 74.182 -8.267 10.560 1.00 2.28 H new ATOM 84 N LYS A 6 78.694 -1.011 8.200 1.00 1.08 N ATOM 85 CA LYS A 6 79.252 0.310 7.792 1.00 1.15 C ATOM 86 C LYS A 6 80.428 0.100 6.833 1.00 1.34 C ATOM 87 O LYS A 6 80.632 0.860 5.908 1.00 1.48 O ATOM 88 CB LYS A 6 79.712 0.973 9.098 1.00 1.28 C ATOM 89 CG LYS A 6 81.076 0.420 9.520 1.00 1.93 C ATOM 90 CD LYS A 6 81.610 1.229 10.704 1.00 2.17 C ATOM 91 CE LYS A 6 81.700 2.706 10.314 1.00 3.13 C ATOM 92 NZ LYS A 6 80.502 3.339 10.932 1.00 3.45 N ATOM 0 H LYS A 6 78.706 -1.199 9.202 1.00 1.08 H new ATOM 0 HA LYS A 6 78.525 0.931 7.269 1.00 1.15 H new ATOM 0 HB2 LYS A 6 79.775 2.053 8.964 1.00 1.28 H new ATOM 0 HB3 LYS A 6 78.979 0.792 9.884 1.00 1.28 H new ATOM 0 HG2 LYS A 6 80.985 -0.631 9.795 1.00 1.93 H new ATOM 0 HG3 LYS A 6 81.775 0.472 8.686 1.00 1.93 H new ATOM 0 HD2 LYS A 6 80.954 1.109 11.566 1.00 2.17 H new ATOM 0 HD3 LYS A 6 82.592 0.859 10.998 1.00 2.17 H new ATOM 0 HE2 LYS A 6 82.621 3.157 10.684 1.00 3.13 H new ATOM 0 HE3 LYS A 6 81.698 2.830 9.231 1.00 3.13 H new ATOM 0 HZ1 LYS A 6 80.137 4.081 10.301 1.00 3.45 H new ATOM 0 HZ2 LYS A 6 79.767 2.619 11.081 1.00 3.45 H new ATOM 0 HZ3 LYS A 6 80.764 3.760 11.846 1.00 3.45 H new ATOM 106 N ALA A 7 81.194 -0.936 7.044 1.00 1.45 N ATOM 107 CA ALA A 7 82.349 -1.207 6.141 1.00 1.74 C ATOM 108 C ALA A 7 81.840 -1.743 4.802 1.00 1.74 C ATOM 109 O ALA A 7 82.378 -1.444 3.754 1.00 1.92 O ATOM 110 CB ALA A 7 83.180 -2.268 6.864 1.00 1.95 C ATOM 0 H ALA A 7 81.070 -1.606 7.803 1.00 1.45 H new ATOM 0 HA ALA A 7 82.934 -0.312 5.930 1.00 1.74 H new ATOM 0 HB1 ALA A 7 84.051 -2.521 6.260 1.00 1.95 H new ATOM 0 HB2 ALA A 7 83.507 -1.879 7.828 1.00 1.95 H new ATOM 0 HB3 ALA A 7 82.574 -3.161 7.020 1.00 1.95 H new ATOM 116 N ALA A 8 80.800 -2.533 4.833 1.00 1.60 N ATOM 117 CA ALA A 8 80.246 -3.091 3.566 1.00 1.68 C ATOM 118 C ALA A 8 79.744 -1.956 2.671 1.00 1.49 C ATOM 119 O ALA A 8 79.967 -1.950 1.476 1.00 1.62 O ATOM 120 CB ALA A 8 79.084 -3.982 4.004 1.00 1.71 C ATOM 0 H ALA A 8 80.310 -2.816 5.682 1.00 1.60 H new ATOM 0 HA ALA A 8 80.990 -3.644 2.994 1.00 1.68 H new ATOM 0 HB1 ALA A 8 78.620 -4.433 3.127 1.00 1.71 H new ATOM 0 HB2 ALA A 8 79.456 -4.768 4.662 1.00 1.71 H new ATOM 0 HB3 ALA A 8 78.346 -3.382 4.537 1.00 1.71 H new ATOM 126 N VAL A 9 79.070 -0.995 3.240 1.00 1.25 N ATOM 127 CA VAL A 9 78.556 0.141 2.423 1.00 1.20 C ATOM 128 C VAL A 9 79.690 0.734 1.581 1.00 1.40 C ATOM 129 O VAL A 9 79.496 1.125 0.447 1.00 1.41 O ATOM 130 CB VAL A 9 78.049 1.161 3.441 1.00 1.13 C ATOM 131 CG1 VAL A 9 77.713 2.472 2.727 1.00 1.83 C ATOM 132 CG2 VAL A 9 76.793 0.617 4.125 1.00 1.52 C ATOM 0 H VAL A 9 78.853 -0.947 4.235 1.00 1.25 H new ATOM 0 HA VAL A 9 77.771 -0.164 1.731 1.00 1.20 H new ATOM 0 HB VAL A 9 78.821 1.342 4.189 1.00 1.13 H new ATOM 0 HG11 VAL A 9 77.351 3.200 3.453 1.00 1.83 H new ATOM 0 HG12 VAL A 9 78.607 2.860 2.239 1.00 1.83 H new ATOM 0 HG13 VAL A 9 76.941 2.291 1.979 1.00 1.83 H new ATOM 0 HG21 VAL A 9 76.431 1.344 4.852 1.00 1.52 H new ATOM 0 HG22 VAL A 9 76.021 0.436 3.377 1.00 1.52 H new ATOM 0 HG23 VAL A 9 77.031 -0.317 4.634 1.00 1.52 H new ATOM 142 N GLU A 10 80.872 0.802 2.130 1.00 1.64 N ATOM 143 CA GLU A 10 82.020 1.365 1.364 1.00 1.94 C ATOM 144 C GLU A 10 82.636 0.289 0.466 1.00 1.97 C ATOM 145 O GLU A 10 83.501 0.561 -0.343 1.00 2.19 O ATOM 146 CB GLU A 10 83.025 1.812 2.429 1.00 2.23 C ATOM 147 CG GLU A 10 83.375 3.286 2.217 1.00 2.75 C ATOM 148 CD GLU A 10 83.926 3.873 3.518 1.00 3.11 C ATOM 149 OE1 GLU A 10 84.425 3.107 4.326 1.00 3.35 O ATOM 150 OE2 GLU A 10 83.838 5.079 3.685 1.00 3.61 O ATOM 0 H GLU A 10 81.092 0.492 3.076 1.00 1.64 H new ATOM 0 HA GLU A 10 81.719 2.187 0.715 1.00 1.94 H new ATOM 0 HB2 GLU A 10 82.604 1.667 3.424 1.00 2.23 H new ATOM 0 HB3 GLU A 10 83.926 1.202 2.372 1.00 2.23 H new ATOM 0 HG2 GLU A 10 84.112 3.385 1.420 1.00 2.75 H new ATOM 0 HG3 GLU A 10 82.490 3.839 1.902 1.00 2.75 H new ATOM 157 N GLN A 11 82.198 -0.933 0.603 1.00 1.87 N ATOM 158 CA GLN A 11 82.761 -2.026 -0.241 1.00 2.00 C ATOM 159 C GLN A 11 82.038 -2.080 -1.590 1.00 1.46 C ATOM 160 O GLN A 11 82.613 -2.436 -2.599 1.00 1.69 O ATOM 161 CB GLN A 11 82.511 -3.307 0.554 1.00 2.54 C ATOM 162 CG GLN A 11 83.849 -3.923 0.966 1.00 3.27 C ATOM 163 CD GLN A 11 83.846 -4.185 2.473 1.00 3.83 C ATOM 164 OE1 GLN A 11 83.268 -5.151 2.931 1.00 4.41 O ATOM 165 NE2 GLN A 11 84.470 -3.360 3.267 1.00 3.95 N ATOM 0 H GLN A 11 81.475 -1.222 1.262 1.00 1.87 H new ATOM 0 HA GLN A 11 83.820 -1.879 -0.456 1.00 2.00 H new ATOM 0 HB2 GLN A 11 81.912 -3.088 1.438 1.00 2.54 H new ATOM 0 HB3 GLN A 11 81.943 -4.016 -0.048 1.00 2.54 H new ATOM 0 HG2 GLN A 11 84.015 -4.854 0.424 1.00 3.27 H new ATOM 0 HG3 GLN A 11 84.667 -3.252 0.704 1.00 3.27 H new ATOM 0 HE21 GLN A 11 84.955 -2.550 2.882 1.00 3.95 H new ATOM 0 HE22 GLN A 11 84.473 -3.525 4.274 1.00 3.95 H new ATOM 174 N LEU A 12 80.780 -1.731 -1.614 1.00 1.14 N ATOM 175 CA LEU A 12 80.024 -1.764 -2.899 1.00 1.23 C ATOM 176 C LEU A 12 80.880 -1.186 -4.029 1.00 1.75 C ATOM 177 O LEU A 12 81.679 -0.294 -3.821 1.00 2.52 O ATOM 178 CB LEU A 12 78.791 -0.891 -2.656 1.00 1.10 C ATOM 179 CG LEU A 12 77.838 -1.611 -1.700 1.00 1.16 C ATOM 180 CD1 LEU A 12 76.594 -0.750 -1.472 1.00 1.74 C ATOM 181 CD2 LEU A 12 77.423 -2.953 -2.308 1.00 1.62 C ATOM 0 H LEU A 12 80.244 -1.425 -0.802 1.00 1.14 H new ATOM 0 HA LEU A 12 79.752 -2.777 -3.194 1.00 1.23 H new ATOM 0 HB2 LEU A 12 79.089 0.069 -2.235 1.00 1.10 H new ATOM 0 HB3 LEU A 12 78.288 -0.683 -3.600 1.00 1.10 H new ATOM 0 HG LEU A 12 78.341 -1.782 -0.748 1.00 1.16 H new ATOM 0 HD11 LEU A 12 75.916 -1.264 -0.791 1.00 1.74 H new ATOM 0 HD12 LEU A 12 76.888 0.206 -1.039 1.00 1.74 H new ATOM 0 HD13 LEU A 12 76.091 -0.578 -2.424 1.00 1.74 H new ATOM 0 HD21 LEU A 12 76.744 -3.466 -1.627 1.00 1.62 H new ATOM 0 HD22 LEU A 12 76.921 -2.781 -3.260 1.00 1.62 H new ATOM 0 HD23 LEU A 12 78.308 -3.568 -2.470 1.00 1.62 H new ATOM 193 N THR A 13 80.722 -1.686 -5.224 1.00 1.74 N ATOM 194 CA THR A 13 81.531 -1.166 -6.365 1.00 2.37 C ATOM 195 C THR A 13 80.842 0.048 -6.997 1.00 2.28 C ATOM 196 O THR A 13 79.655 0.255 -6.835 1.00 1.84 O ATOM 197 CB THR A 13 81.603 -2.320 -7.369 1.00 2.87 C ATOM 198 OG1 THR A 13 80.814 -3.407 -6.906 1.00 2.80 O ATOM 199 CG2 THR A 13 83.056 -2.772 -7.524 1.00 3.47 C ATOM 0 H THR A 13 80.068 -2.432 -5.461 1.00 1.74 H new ATOM 0 HA THR A 13 82.522 -0.841 -6.047 1.00 2.37 H new ATOM 0 HB THR A 13 81.222 -1.984 -8.333 1.00 2.87 H new ATOM 0 HG1 THR A 13 79.876 -3.258 -7.149 1.00 2.80 H new ATOM 0 HG21 THR A 13 83.107 -3.593 -8.239 1.00 3.47 H new ATOM 0 HG22 THR A 13 83.660 -1.939 -7.885 1.00 3.47 H new ATOM 0 HG23 THR A 13 83.438 -3.106 -6.559 1.00 3.47 H new ATOM 207 N GLU A 14 81.579 0.849 -7.717 1.00 2.79 N ATOM 208 CA GLU A 14 80.968 2.047 -8.361 1.00 2.85 C ATOM 209 C GLU A 14 79.837 1.618 -9.301 1.00 2.54 C ATOM 210 O GLU A 14 78.699 2.011 -9.137 1.00 2.21 O ATOM 211 CB GLU A 14 82.107 2.693 -9.152 1.00 3.57 C ATOM 212 CG GLU A 14 83.004 3.487 -8.200 1.00 3.91 C ATOM 213 CD GLU A 14 84.471 3.194 -8.521 1.00 4.24 C ATOM 214 OE1 GLU A 14 84.740 2.128 -9.048 1.00 4.48 O ATOM 215 OE2 GLU A 14 85.300 4.042 -8.233 1.00 4.66 O ATOM 0 H GLU A 14 82.577 0.726 -7.887 1.00 2.79 H new ATOM 0 HA GLU A 14 80.535 2.735 -7.634 1.00 2.85 H new ATOM 0 HB2 GLU A 14 82.690 1.926 -9.663 1.00 3.57 H new ATOM 0 HB3 GLU A 14 81.702 3.351 -9.921 1.00 3.57 H new ATOM 0 HG2 GLU A 14 82.805 4.554 -8.300 1.00 3.91 H new ATOM 0 HG3 GLU A 14 82.785 3.217 -7.167 1.00 3.91 H new ATOM 222 N GLU A 15 80.143 0.816 -10.284 1.00 2.73 N ATOM 223 CA GLU A 15 79.084 0.363 -11.231 1.00 2.59 C ATOM 224 C GLU A 15 77.815 -0.011 -10.460 1.00 2.19 C ATOM 225 O GLU A 15 76.712 0.169 -10.938 1.00 2.08 O ATOM 226 CB GLU A 15 79.672 -0.867 -11.925 1.00 3.01 C ATOM 227 CG GLU A 15 79.873 -1.985 -10.901 1.00 3.67 C ATOM 228 CD GLU A 15 78.572 -2.777 -10.748 1.00 4.32 C ATOM 229 OE1 GLU A 15 77.665 -2.544 -11.530 1.00 4.98 O ATOM 230 OE2 GLU A 15 78.505 -3.601 -9.851 1.00 4.51 O ATOM 0 H GLU A 15 81.078 0.455 -10.472 1.00 2.73 H new ATOM 0 HA GLU A 15 78.807 1.139 -11.945 1.00 2.59 H new ATOM 0 HB2 GLU A 15 79.005 -1.203 -12.719 1.00 3.01 H new ATOM 0 HB3 GLU A 15 80.623 -0.613 -12.393 1.00 3.01 H new ATOM 0 HG2 GLU A 15 80.678 -2.646 -11.222 1.00 3.67 H new ATOM 0 HG3 GLU A 15 80.170 -1.564 -9.941 1.00 3.67 H new ATOM 237 N GLN A 16 77.964 -0.527 -9.271 1.00 2.04 N ATOM 238 CA GLN A 16 76.767 -0.912 -8.466 1.00 1.73 C ATOM 239 C GLN A 16 76.076 0.341 -7.919 1.00 1.35 C ATOM 240 O GLN A 16 74.964 0.659 -8.288 1.00 1.17 O ATOM 241 CB GLN A 16 77.318 -1.766 -7.324 1.00 1.74 C ATOM 242 CG GLN A 16 76.234 -1.962 -6.261 1.00 2.16 C ATOM 243 CD GLN A 16 75.989 -3.458 -6.054 1.00 2.30 C ATOM 244 OE1 GLN A 16 76.291 -3.995 -5.006 1.00 3.06 O ATOM 245 NE2 GLN A 16 75.449 -4.158 -7.014 1.00 2.19 N ATOM 0 H GLN A 16 78.863 -0.699 -8.821 1.00 2.04 H new ATOM 0 HA GLN A 16 76.025 -1.451 -9.055 1.00 1.73 H new ATOM 0 HB2 GLN A 16 77.647 -2.733 -7.705 1.00 1.74 H new ATOM 0 HB3 GLN A 16 78.191 -1.283 -6.884 1.00 1.74 H new ATOM 0 HG2 GLN A 16 76.541 -1.500 -5.323 1.00 2.16 H new ATOM 0 HG3 GLN A 16 75.312 -1.471 -6.571 1.00 2.16 H new ATOM 0 HE21 GLN A 16 75.196 -3.707 -7.893 1.00 2.19 H new ATOM 0 HE22 GLN A 16 75.280 -5.156 -6.885 1.00 2.19 H new ATOM 254 N LYS A 17 76.729 1.055 -7.044 1.00 1.41 N ATOM 255 CA LYS A 17 76.109 2.287 -6.477 1.00 1.21 C ATOM 256 C LYS A 17 75.684 3.227 -7.608 1.00 1.08 C ATOM 257 O LYS A 17 74.825 4.070 -7.439 1.00 0.97 O ATOM 258 CB LYS A 17 77.206 2.929 -5.627 1.00 1.52 C ATOM 259 CG LYS A 17 77.699 1.926 -4.582 1.00 2.28 C ATOM 260 CD LYS A 17 79.229 1.885 -4.595 1.00 2.64 C ATOM 261 CE LYS A 17 79.777 3.000 -3.701 1.00 2.74 C ATOM 262 NZ LYS A 17 80.008 2.355 -2.379 1.00 2.91 N ATOM 0 H LYS A 17 77.664 0.840 -6.697 1.00 1.41 H new ATOM 0 HA LYS A 17 75.217 2.070 -5.890 1.00 1.21 H new ATOM 0 HB2 LYS A 17 78.034 3.245 -6.262 1.00 1.52 H new ATOM 0 HB3 LYS A 17 76.823 3.823 -5.135 1.00 1.52 H new ATOM 0 HG2 LYS A 17 77.341 2.210 -3.593 1.00 2.28 H new ATOM 0 HG3 LYS A 17 77.296 0.936 -4.795 1.00 2.28 H new ATOM 0 HD2 LYS A 17 79.580 0.915 -4.242 1.00 2.64 H new ATOM 0 HD3 LYS A 17 79.598 2.006 -5.613 1.00 2.64 H new ATOM 0 HE2 LYS A 17 80.701 3.412 -4.106 1.00 2.74 H new ATOM 0 HE3 LYS A 17 79.069 3.825 -3.620 1.00 2.74 H new ATOM 0 HZ1 LYS A 17 80.553 2.998 -1.770 1.00 2.91 H new ATOM 0 HZ2 LYS A 17 79.093 2.145 -1.931 1.00 2.91 H new ATOM 0 HZ3 LYS A 17 80.539 1.471 -2.512 1.00 2.91 H new ATOM 276 N ASN A 18 76.277 3.087 -8.763 1.00 1.19 N ATOM 277 CA ASN A 18 75.906 3.970 -9.905 1.00 1.13 C ATOM 278 C ASN A 18 74.476 3.669 -10.358 1.00 0.92 C ATOM 279 O ASN A 18 73.674 4.561 -10.548 1.00 0.77 O ATOM 280 CB ASN A 18 76.900 3.623 -11.014 1.00 1.38 C ATOM 281 CG ASN A 18 77.919 4.756 -11.160 1.00 1.81 C ATOM 282 OD1 ASN A 18 77.723 5.667 -11.940 1.00 1.98 O ATOM 283 ND2 ASN A 18 79.005 4.737 -10.438 1.00 2.51 N ATOM 0 H ASN A 18 77.002 2.399 -8.965 1.00 1.19 H new ATOM 0 HA ASN A 18 75.943 5.027 -9.640 1.00 1.13 H new ATOM 0 HB2 ASN A 18 77.410 2.689 -10.780 1.00 1.38 H new ATOM 0 HB3 ASN A 18 76.372 3.471 -11.955 1.00 1.38 H new ATOM 0 HD21 ASN A 18 79.690 5.487 -10.528 1.00 2.51 H new ATOM 0 HD22 ASN A 18 79.169 3.972 -9.783 1.00 2.51 H new ATOM 290 N GLU A 19 74.151 2.418 -10.530 1.00 1.02 N ATOM 291 CA GLU A 19 72.773 2.060 -10.969 1.00 0.98 C ATOM 292 C GLU A 19 71.779 2.298 -9.829 1.00 0.83 C ATOM 293 O GLU A 19 70.687 2.789 -10.038 1.00 0.82 O ATOM 294 CB GLU A 19 72.842 0.572 -11.319 1.00 1.25 C ATOM 295 CG GLU A 19 72.595 0.389 -12.818 1.00 1.54 C ATOM 296 CD GLU A 19 73.773 -0.361 -13.443 1.00 2.01 C ATOM 297 OE1 GLU A 19 74.845 0.216 -13.516 1.00 2.60 O ATOM 298 OE2 GLU A 19 73.583 -1.500 -13.838 1.00 2.48 O ATOM 0 H GLU A 19 74.780 1.628 -10.386 1.00 1.02 H new ATOM 0 HA GLU A 19 72.438 2.661 -11.814 1.00 0.98 H new ATOM 0 HB2 GLU A 19 73.818 0.169 -11.048 1.00 1.25 H new ATOM 0 HB3 GLU A 19 72.098 0.018 -10.747 1.00 1.25 H new ATOM 0 HG2 GLU A 19 71.671 -0.165 -12.980 1.00 1.54 H new ATOM 0 HG3 GLU A 19 72.473 1.360 -13.298 1.00 1.54 H new ATOM 305 N PHE A 20 72.148 1.955 -8.625 1.00 0.83 N ATOM 306 CA PHE A 20 71.224 2.165 -7.474 1.00 0.78 C ATOM 307 C PHE A 20 70.984 3.661 -7.257 1.00 0.69 C ATOM 308 O PHE A 20 69.980 4.066 -6.706 1.00 0.74 O ATOM 309 CB PHE A 20 71.944 1.557 -6.268 1.00 0.94 C ATOM 310 CG PHE A 20 71.700 0.068 -6.232 1.00 1.20 C ATOM 311 CD1 PHE A 20 72.162 -0.741 -7.276 1.00 1.96 C ATOM 312 CD2 PHE A 20 71.011 -0.505 -5.155 1.00 2.07 C ATOM 313 CE1 PHE A 20 71.937 -2.123 -7.243 1.00 2.88 C ATOM 314 CE2 PHE A 20 70.786 -1.886 -5.123 1.00 2.93 C ATOM 315 CZ PHE A 20 71.249 -2.695 -6.167 1.00 3.19 C ATOM 0 H PHE A 20 73.049 1.539 -8.389 1.00 0.83 H new ATOM 0 HA PHE A 20 70.249 1.706 -7.639 1.00 0.78 H new ATOM 0 HB2 PHE A 20 73.013 1.759 -6.330 1.00 0.94 H new ATOM 0 HB3 PHE A 20 71.585 2.017 -5.347 1.00 0.94 H new ATOM 0 HD1 PHE A 20 72.692 -0.300 -8.107 1.00 1.96 H new ATOM 0 HD2 PHE A 20 70.653 0.119 -4.349 1.00 2.07 H new ATOM 0 HE1 PHE A 20 72.295 -2.747 -8.048 1.00 2.88 H new ATOM 0 HE2 PHE A 20 70.255 -2.327 -4.293 1.00 2.93 H new ATOM 0 HZ PHE A 20 71.075 -3.761 -6.142 1.00 3.19 H new ATOM 325 N LYS A 21 71.902 4.484 -7.686 1.00 0.73 N ATOM 326 CA LYS A 21 71.728 5.954 -7.505 1.00 0.83 C ATOM 327 C LYS A 21 70.564 6.461 -8.362 1.00 0.81 C ATOM 328 O LYS A 21 69.826 7.340 -7.964 1.00 0.97 O ATOM 329 CB LYS A 21 73.049 6.569 -7.971 1.00 1.00 C ATOM 330 CG LYS A 21 72.959 8.094 -7.898 1.00 1.37 C ATOM 331 CD LYS A 21 73.917 8.714 -8.917 1.00 1.81 C ATOM 332 CE LYS A 21 75.356 8.592 -8.407 1.00 2.52 C ATOM 333 NZ LYS A 21 75.549 9.771 -7.517 1.00 3.32 N ATOM 0 H LYS A 21 72.764 4.203 -8.153 1.00 0.73 H new ATOM 0 HA LYS A 21 71.497 6.219 -6.473 1.00 0.83 H new ATOM 0 HB2 LYS A 21 73.868 6.213 -7.346 1.00 1.00 H new ATOM 0 HB3 LYS A 21 73.267 6.256 -8.992 1.00 1.00 H new ATOM 0 HG2 LYS A 21 71.938 8.418 -8.100 1.00 1.37 H new ATOM 0 HG3 LYS A 21 73.209 8.436 -6.894 1.00 1.37 H new ATOM 0 HD2 LYS A 21 73.817 8.211 -9.879 1.00 1.81 H new ATOM 0 HD3 LYS A 21 73.665 9.762 -9.078 1.00 1.81 H new ATOM 0 HE2 LYS A 21 75.505 7.659 -7.864 1.00 2.52 H new ATOM 0 HE3 LYS A 21 76.069 8.598 -9.231 1.00 2.52 H new ATOM 0 HZ1 LYS A 21 76.219 9.528 -6.760 1.00 3.32 H new ATOM 0 HZ2 LYS A 21 75.926 10.566 -8.071 1.00 3.32 H new ATOM 0 HZ3 LYS A 21 74.637 10.042 -7.098 1.00 3.32 H new ATOM 347 N ALA A 22 70.394 5.914 -9.535 1.00 0.78 N ATOM 348 CA ALA A 22 69.274 6.366 -10.410 1.00 0.87 C ATOM 349 C ALA A 22 67.934 5.919 -9.819 1.00 0.81 C ATOM 350 O ALA A 22 67.071 6.724 -9.532 1.00 0.83 O ATOM 351 CB ALA A 22 69.522 5.686 -11.757 1.00 0.97 C ATOM 0 H ALA A 22 70.980 5.176 -9.925 1.00 0.78 H new ATOM 0 HA ALA A 22 69.234 7.451 -10.506 1.00 0.87 H new ATOM 0 HB1 ALA A 22 68.737 5.970 -12.458 1.00 0.97 H new ATOM 0 HB2 ALA A 22 70.490 5.999 -12.150 1.00 0.97 H new ATOM 0 HB3 ALA A 22 69.517 4.604 -11.625 1.00 0.97 H new ATOM 357 N ALA A 23 67.757 4.640 -9.630 1.00 0.80 N ATOM 358 CA ALA A 23 66.476 4.143 -9.052 1.00 0.81 C ATOM 359 C ALA A 23 66.171 4.879 -7.744 1.00 0.74 C ATOM 360 O ALA A 23 65.035 5.187 -7.445 1.00 0.77 O ATOM 361 CB ALA A 23 66.712 2.655 -8.794 1.00 0.89 C ATOM 0 H ALA A 23 68.443 3.918 -9.851 1.00 0.80 H new ATOM 0 HA ALA A 23 65.626 4.309 -9.714 1.00 0.81 H new ATOM 0 HB1 ALA A 23 65.812 2.213 -8.366 1.00 0.89 H new ATOM 0 HB2 ALA A 23 66.950 2.156 -9.733 1.00 0.89 H new ATOM 0 HB3 ALA A 23 67.542 2.534 -8.098 1.00 0.89 H new ATOM 367 N PHE A 24 67.179 5.167 -6.967 1.00 0.71 N ATOM 368 CA PHE A 24 66.947 5.888 -5.682 1.00 0.72 C ATOM 369 C PHE A 24 66.135 7.163 -5.940 1.00 0.71 C ATOM 370 O PHE A 24 65.118 7.398 -5.321 1.00 0.73 O ATOM 371 CB PHE A 24 68.348 6.232 -5.164 1.00 0.82 C ATOM 372 CG PHE A 24 68.264 7.356 -4.157 1.00 1.04 C ATOM 373 CD1 PHE A 24 67.141 7.471 -3.328 1.00 1.51 C ATOM 374 CD2 PHE A 24 69.308 8.282 -4.054 1.00 1.81 C ATOM 375 CE1 PHE A 24 67.062 8.515 -2.397 1.00 1.88 C ATOM 376 CE2 PHE A 24 69.229 9.325 -3.123 1.00 2.09 C ATOM 377 CZ PHE A 24 68.107 9.441 -2.294 1.00 1.85 C ATOM 0 H PHE A 24 68.152 4.935 -7.165 1.00 0.71 H new ATOM 0 HA PHE A 24 66.385 5.292 -4.962 1.00 0.72 H new ATOM 0 HB2 PHE A 24 68.801 5.354 -4.704 1.00 0.82 H new ATOM 0 HB3 PHE A 24 68.991 6.524 -5.995 1.00 0.82 H new ATOM 0 HD1 PHE A 24 66.336 6.755 -3.406 1.00 1.51 H new ATOM 0 HD2 PHE A 24 70.174 8.192 -4.692 1.00 1.81 H new ATOM 0 HE1 PHE A 24 66.195 8.605 -1.759 1.00 1.88 H new ATOM 0 HE2 PHE A 24 70.034 10.040 -3.044 1.00 2.09 H new ATOM 0 HZ PHE A 24 68.047 10.245 -1.575 1.00 1.85 H new ATOM 387 N ASP A 25 66.583 7.984 -6.849 1.00 0.81 N ATOM 388 CA ASP A 25 65.842 9.243 -7.147 1.00 0.97 C ATOM 389 C ASP A 25 64.458 8.926 -7.721 1.00 1.04 C ATOM 390 O ASP A 25 63.596 9.779 -7.793 1.00 1.23 O ATOM 391 CB ASP A 25 66.701 9.966 -8.186 1.00 1.18 C ATOM 392 CG ASP A 25 67.289 11.237 -7.570 1.00 1.57 C ATOM 393 OD1 ASP A 25 67.877 11.138 -6.506 1.00 2.18 O ATOM 394 OD2 ASP A 25 67.141 12.287 -8.173 1.00 1.98 O ATOM 0 H ASP A 25 67.430 7.838 -7.399 1.00 0.81 H new ATOM 0 HA ASP A 25 65.680 9.848 -6.255 1.00 0.97 H new ATOM 0 HB2 ASP A 25 67.502 9.312 -8.529 1.00 1.18 H new ATOM 0 HB3 ASP A 25 66.099 10.218 -9.059 1.00 1.18 H new ATOM 399 N ILE A 26 64.240 7.708 -8.133 1.00 0.99 N ATOM 400 CA ILE A 26 62.914 7.342 -8.704 1.00 1.18 C ATOM 401 C ILE A 26 61.951 6.920 -7.591 1.00 1.09 C ATOM 402 O ILE A 26 60.749 7.034 -7.722 1.00 1.23 O ATOM 403 CB ILE A 26 63.200 6.169 -9.634 1.00 1.38 C ATOM 404 CG1 ILE A 26 64.077 6.657 -10.794 1.00 1.55 C ATOM 405 CG2 ILE A 26 61.876 5.618 -10.171 1.00 1.60 C ATOM 406 CD1 ILE A 26 63.975 5.687 -11.973 1.00 1.61 C ATOM 0 H ILE A 26 64.922 6.951 -8.099 1.00 0.99 H new ATOM 0 HA ILE A 26 62.445 8.176 -9.226 1.00 1.18 H new ATOM 0 HB ILE A 26 63.722 5.378 -9.095 1.00 1.38 H new ATOM 0 HG12 ILE A 26 63.762 7.653 -11.104 1.00 1.55 H new ATOM 0 HG13 ILE A 26 65.114 6.738 -10.468 1.00 1.55 H new ATOM 0 HG21 ILE A 26 62.075 4.778 -10.837 1.00 1.60 H new ATOM 0 HG22 ILE A 26 61.257 5.282 -9.339 1.00 1.60 H new ATOM 0 HG23 ILE A 26 61.352 6.401 -10.720 1.00 1.60 H new ATOM 0 HD11 ILE A 26 64.601 6.042 -12.792 1.00 1.61 H new ATOM 0 HD12 ILE A 26 64.312 4.698 -11.661 1.00 1.61 H new ATOM 0 HD13 ILE A 26 62.939 5.629 -12.308 1.00 1.61 H new ATOM 418 N PHE A 27 62.470 6.428 -6.500 1.00 0.94 N ATOM 419 CA PHE A 27 61.584 5.993 -5.386 1.00 0.95 C ATOM 420 C PHE A 27 61.224 7.186 -4.495 1.00 0.79 C ATOM 421 O PHE A 27 60.361 7.099 -3.644 1.00 0.87 O ATOM 422 CB PHE A 27 62.411 4.964 -4.616 1.00 1.05 C ATOM 423 CG PHE A 27 63.034 3.990 -5.590 1.00 1.28 C ATOM 424 CD1 PHE A 27 62.341 3.622 -6.750 1.00 1.67 C ATOM 425 CD2 PHE A 27 64.303 3.457 -5.335 1.00 1.97 C ATOM 426 CE1 PHE A 27 62.916 2.719 -7.654 1.00 1.91 C ATOM 427 CE2 PHE A 27 64.878 2.554 -6.237 1.00 2.24 C ATOM 428 CZ PHE A 27 64.184 2.185 -7.397 1.00 1.91 C ATOM 0 H PHE A 27 63.469 6.309 -6.333 1.00 0.94 H new ATOM 0 HA PHE A 27 60.640 5.577 -5.739 1.00 0.95 H new ATOM 0 HB2 PHE A 27 63.188 5.464 -4.038 1.00 1.05 H new ATOM 0 HB3 PHE A 27 61.779 4.431 -3.906 1.00 1.05 H new ATOM 0 HD1 PHE A 27 61.363 4.035 -6.948 1.00 1.67 H new ATOM 0 HD2 PHE A 27 64.839 3.743 -4.442 1.00 1.97 H new ATOM 0 HE1 PHE A 27 62.381 2.435 -8.548 1.00 1.91 H new ATOM 0 HE2 PHE A 27 65.856 2.142 -6.039 1.00 2.24 H new ATOM 0 HZ PHE A 27 64.628 1.488 -8.093 1.00 1.91 H new ATOM 438 N VAL A 28 61.878 8.301 -4.682 1.00 0.76 N ATOM 439 CA VAL A 28 61.572 9.495 -3.851 1.00 0.78 C ATOM 440 C VAL A 28 60.623 10.433 -4.599 1.00 0.97 C ATOM 441 O VAL A 28 60.414 11.564 -4.207 1.00 1.39 O ATOM 442 CB VAL A 28 62.925 10.165 -3.634 1.00 0.77 C ATOM 443 CG1 VAL A 28 63.896 9.167 -3.004 1.00 1.33 C ATOM 444 CG2 VAL A 28 63.482 10.637 -4.978 1.00 1.34 C ATOM 0 H VAL A 28 62.613 8.434 -5.377 1.00 0.76 H new ATOM 0 HA VAL A 28 61.082 9.237 -2.912 1.00 0.78 H new ATOM 0 HB VAL A 28 62.802 11.020 -2.970 1.00 0.77 H new ATOM 0 HG11 VAL A 28 64.862 9.647 -2.850 1.00 1.33 H new ATOM 0 HG12 VAL A 28 63.501 8.830 -2.046 1.00 1.33 H new ATOM 0 HG13 VAL A 28 64.018 8.310 -3.667 1.00 1.33 H new ATOM 0 HG21 VAL A 28 64.449 11.116 -4.823 1.00 1.34 H new ATOM 0 HG22 VAL A 28 63.603 9.781 -5.642 1.00 1.34 H new ATOM 0 HG23 VAL A 28 62.792 11.351 -5.428 1.00 1.34 H new ATOM 454 N LEU A 29 60.047 9.973 -5.675 1.00 1.11 N ATOM 455 CA LEU A 29 59.112 10.839 -6.449 1.00 1.39 C ATOM 456 C LEU A 29 57.944 11.278 -5.562 1.00 1.56 C ATOM 457 O LEU A 29 57.285 12.264 -5.830 1.00 1.98 O ATOM 458 CB LEU A 29 58.613 9.957 -7.594 1.00 1.45 C ATOM 459 CG LEU A 29 59.381 10.296 -8.872 1.00 1.71 C ATOM 460 CD1 LEU A 29 58.944 11.672 -9.379 1.00 2.28 C ATOM 461 CD2 LEU A 29 60.882 10.317 -8.575 1.00 2.41 C ATOM 0 H LEU A 29 60.183 9.035 -6.052 1.00 1.11 H new ATOM 0 HA LEU A 29 59.594 11.746 -6.813 1.00 1.39 H new ATOM 0 HB2 LEU A 29 58.750 8.905 -7.343 1.00 1.45 H new ATOM 0 HB3 LEU A 29 57.545 10.112 -7.747 1.00 1.45 H new ATOM 0 HG LEU A 29 59.171 9.544 -9.632 1.00 1.71 H new ATOM 0 HD11 LEU A 29 59.491 11.915 -10.290 1.00 2.28 H new ATOM 0 HD12 LEU A 29 57.875 11.659 -9.590 1.00 2.28 H new ATOM 0 HD13 LEU A 29 59.155 12.424 -8.618 1.00 2.28 H new ATOM 0 HD21 LEU A 29 61.430 10.559 -9.486 1.00 2.41 H new ATOM 0 HD22 LEU A 29 61.092 11.069 -7.815 1.00 2.41 H new ATOM 0 HD23 LEU A 29 61.195 9.338 -8.212 1.00 2.41 H new ATOM 473 N GLY A 30 57.683 10.555 -4.508 1.00 1.92 N ATOM 474 CA GLY A 30 56.558 10.932 -3.606 1.00 2.16 C ATOM 475 C GLY A 30 57.074 11.848 -2.496 1.00 1.95 C ATOM 476 O GLY A 30 56.321 12.576 -1.880 1.00 2.01 O ATOM 0 H GLY A 30 58.200 9.720 -4.232 1.00 1.92 H new ATOM 0 HA2 GLY A 30 55.777 11.437 -4.174 1.00 2.16 H new ATOM 0 HA3 GLY A 30 56.110 10.037 -3.174 1.00 2.16 H new ATOM 480 N ALA A 31 58.352 11.818 -2.230 1.00 1.94 N ATOM 481 CA ALA A 31 58.905 12.691 -1.155 1.00 1.87 C ATOM 482 C ALA A 31 58.992 14.139 -1.636 1.00 2.03 C ATOM 483 O ALA A 31 58.882 14.422 -2.813 1.00 2.28 O ATOM 484 CB ALA A 31 60.304 12.144 -0.871 1.00 1.50 C ATOM 0 H ALA A 31 59.034 11.230 -2.708 1.00 1.94 H new ATOM 0 HA ALA A 31 58.276 12.687 -0.265 1.00 1.87 H new ATOM 0 HB1 ALA A 31 60.775 12.738 -0.088 1.00 1.50 H new ATOM 0 HB2 ALA A 31 60.230 11.107 -0.545 1.00 1.50 H new ATOM 0 HB3 ALA A 31 60.906 12.197 -1.778 1.00 1.50 H new ATOM 490 N GLU A 32 59.196 15.057 -0.734 1.00 2.22 N ATOM 491 CA GLU A 32 59.297 16.488 -1.134 1.00 2.52 C ATOM 492 C GLU A 32 60.734 16.977 -0.945 1.00 2.19 C ATOM 493 O GLU A 32 61.147 17.967 -1.516 1.00 2.44 O ATOM 494 CB GLU A 32 58.334 17.224 -0.203 1.00 3.02 C ATOM 495 CG GLU A 32 58.895 17.248 1.222 1.00 3.65 C ATOM 496 CD GLU A 32 58.890 18.684 1.748 1.00 4.03 C ATOM 497 OE1 GLU A 32 57.824 19.162 2.098 1.00 4.34 O ATOM 498 OE2 GLU A 32 59.953 19.282 1.791 1.00 4.40 O ATOM 0 H GLU A 32 59.297 14.878 0.265 1.00 2.22 H new ATOM 0 HA GLU A 32 59.044 16.655 -2.181 1.00 2.52 H new ATOM 0 HB2 GLU A 32 58.179 18.243 -0.559 1.00 3.02 H new ATOM 0 HB3 GLU A 32 57.361 16.733 -0.211 1.00 3.02 H new ATOM 0 HG2 GLU A 32 58.296 16.610 1.871 1.00 3.65 H new ATOM 0 HG3 GLU A 32 59.909 16.849 1.232 1.00 3.65 H new ATOM 505 N ASP A 33 61.501 16.279 -0.154 1.00 1.88 N ATOM 506 CA ASP A 33 62.917 16.684 0.069 1.00 1.82 C ATOM 507 C ASP A 33 63.848 15.690 -0.630 1.00 1.49 C ATOM 508 O ASP A 33 65.030 15.929 -0.783 1.00 1.70 O ATOM 509 CB ASP A 33 63.112 16.635 1.583 1.00 2.02 C ATOM 510 CG ASP A 33 62.661 15.274 2.115 1.00 2.43 C ATOM 511 OD1 ASP A 33 62.669 14.327 1.346 1.00 2.98 O ATOM 512 OD2 ASP A 33 62.315 15.202 3.283 1.00 2.79 O ATOM 0 H ASP A 33 61.207 15.442 0.349 1.00 1.88 H new ATOM 0 HA ASP A 33 63.140 17.673 -0.331 1.00 1.82 H new ATOM 0 HB2 ASP A 33 64.160 16.804 1.830 1.00 2.02 H new ATOM 0 HB3 ASP A 33 62.539 17.431 2.059 1.00 2.02 H new ATOM 517 N GLY A 34 63.316 14.576 -1.058 1.00 1.25 N ATOM 518 CA GLY A 34 64.154 13.560 -1.752 1.00 1.06 C ATOM 519 C GLY A 34 64.423 12.383 -0.812 1.00 0.97 C ATOM 520 O GLY A 34 65.495 12.248 -0.258 1.00 1.19 O ATOM 0 H GLY A 34 62.332 14.327 -0.955 1.00 1.25 H new ATOM 0 HA2 GLY A 34 63.648 13.211 -2.652 1.00 1.06 H new ATOM 0 HA3 GLY A 34 65.096 14.007 -2.069 1.00 1.06 H new ATOM 524 N CYS A 35 63.453 11.528 -0.632 1.00 0.83 N ATOM 525 CA CYS A 35 63.646 10.355 0.269 1.00 0.79 C ATOM 526 C CYS A 35 62.812 9.171 -0.229 1.00 0.72 C ATOM 527 O CYS A 35 61.835 9.343 -0.928 1.00 0.75 O ATOM 528 CB CYS A 35 63.151 10.823 1.638 1.00 0.83 C ATOM 529 SG CYS A 35 64.498 11.659 2.513 1.00 1.87 S ATOM 0 H CYS A 35 62.534 11.591 -1.070 1.00 0.83 H new ATOM 0 HA CYS A 35 64.684 10.023 0.304 1.00 0.79 H new ATOM 0 HB2 CYS A 35 62.305 11.500 1.519 1.00 0.83 H new ATOM 0 HB3 CYS A 35 62.798 9.971 2.220 1.00 0.83 H new ATOM 0 HG CYS A 35 65.261 12.269 1.655 1.00 1.87 H new ATOM 535 N ILE A 36 63.186 7.971 0.126 1.00 0.68 N ATOM 536 CA ILE A 36 62.404 6.784 -0.333 1.00 0.69 C ATOM 537 C ILE A 36 61.517 6.271 0.806 1.00 0.78 C ATOM 538 O ILE A 36 61.805 5.268 1.428 1.00 0.91 O ATOM 539 CB ILE A 36 63.439 5.717 -0.723 1.00 0.66 C ATOM 540 CG1 ILE A 36 64.714 6.376 -1.260 1.00 0.65 C ATOM 541 CG2 ILE A 36 62.849 4.819 -1.813 1.00 0.65 C ATOM 542 CD1 ILE A 36 65.735 5.293 -1.613 1.00 0.76 C ATOM 0 H ILE A 36 63.995 7.761 0.711 1.00 0.68 H new ATOM 0 HA ILE A 36 61.753 7.031 -1.172 1.00 0.69 H new ATOM 0 HB ILE A 36 63.687 5.129 0.161 1.00 0.66 H new ATOM 0 HG12 ILE A 36 64.484 6.975 -2.141 1.00 0.65 H new ATOM 0 HG13 ILE A 36 65.129 7.053 -0.513 1.00 0.65 H new ATOM 0 HG21 ILE A 36 63.579 4.060 -2.094 1.00 0.65 H new ATOM 0 HG22 ILE A 36 61.948 4.334 -1.437 1.00 0.65 H new ATOM 0 HG23 ILE A 36 62.599 5.422 -2.686 1.00 0.65 H new ATOM 0 HD11 ILE A 36 66.643 5.760 -1.995 1.00 0.76 H new ATOM 0 HD12 ILE A 36 65.973 4.713 -0.721 1.00 0.76 H new ATOM 0 HD13 ILE A 36 65.318 4.634 -2.374 1.00 0.76 H new ATOM 554 N SER A 37 60.440 6.955 1.084 1.00 0.79 N ATOM 555 CA SER A 37 59.535 6.511 2.184 1.00 0.91 C ATOM 556 C SER A 37 59.349 4.992 2.135 1.00 0.85 C ATOM 557 O SER A 37 58.996 4.432 1.116 1.00 0.92 O ATOM 558 CB SER A 37 58.209 7.222 1.918 1.00 1.09 C ATOM 559 OG SER A 37 57.878 8.035 3.036 1.00 1.94 O ATOM 0 H SER A 37 60.147 7.802 0.597 1.00 0.79 H new ATOM 0 HA SER A 37 59.935 6.750 3.169 1.00 0.91 H new ATOM 0 HB2 SER A 37 58.285 7.834 1.019 1.00 1.09 H new ATOM 0 HB3 SER A 37 57.421 6.491 1.740 1.00 1.09 H new ATOM 0 HG SER A 37 57.029 8.494 2.867 1.00 1.94 H new ATOM 565 N THR A 38 59.585 4.320 3.230 1.00 0.88 N ATOM 566 CA THR A 38 59.421 2.837 3.243 1.00 1.02 C ATOM 567 C THR A 38 58.087 2.445 2.601 1.00 1.13 C ATOM 568 O THR A 38 57.917 1.338 2.131 1.00 1.48 O ATOM 569 CB THR A 38 59.438 2.450 4.721 1.00 1.12 C ATOM 570 OG1 THR A 38 59.224 1.050 4.843 1.00 1.47 O ATOM 571 CG2 THR A 38 58.331 3.204 5.453 1.00 1.25 C ATOM 0 H THR A 38 59.883 4.732 4.114 1.00 0.88 H new ATOM 0 HA THR A 38 60.205 2.331 2.679 1.00 1.02 H new ATOM 0 HB THR A 38 60.403 2.708 5.158 1.00 1.12 H new ATOM 0 HG1 THR A 38 58.921 0.843 5.752 1.00 1.47 H new ATOM 0 HG21 THR A 38 58.340 2.930 6.508 1.00 1.25 H new ATOM 0 HG22 THR A 38 58.496 4.277 5.355 1.00 1.25 H new ATOM 0 HG23 THR A 38 57.365 2.944 5.019 1.00 1.25 H new ATOM 579 N LYS A 39 57.140 3.342 2.581 1.00 1.09 N ATOM 580 CA LYS A 39 55.819 3.016 1.970 1.00 1.33 C ATOM 581 C LYS A 39 55.948 2.931 0.447 1.00 1.20 C ATOM 582 O LYS A 39 55.244 2.185 -0.204 1.00 1.45 O ATOM 583 CB LYS A 39 54.899 4.173 2.365 1.00 1.57 C ATOM 584 CG LYS A 39 53.611 3.616 2.975 1.00 2.27 C ATOM 585 CD LYS A 39 52.674 3.149 1.859 1.00 2.86 C ATOM 586 CE LYS A 39 51.913 4.351 1.294 1.00 3.52 C ATOM 587 NZ LYS A 39 52.387 4.478 -0.112 1.00 4.37 N ATOM 0 H LYS A 39 57.223 4.285 2.960 1.00 1.09 H new ATOM 0 HA LYS A 39 55.434 2.055 2.312 1.00 1.33 H new ATOM 0 HB2 LYS A 39 55.402 4.823 3.081 1.00 1.57 H new ATOM 0 HB3 LYS A 39 54.667 4.781 1.491 1.00 1.57 H new ATOM 0 HG2 LYS A 39 53.842 2.785 3.641 1.00 2.27 H new ATOM 0 HG3 LYS A 39 53.122 4.381 3.578 1.00 2.27 H new ATOM 0 HD2 LYS A 39 53.246 2.663 1.069 1.00 2.86 H new ATOM 0 HD3 LYS A 39 51.972 2.410 2.245 1.00 2.86 H new ATOM 0 HE2 LYS A 39 50.836 4.191 1.335 1.00 3.52 H new ATOM 0 HE3 LYS A 39 52.123 5.255 1.865 1.00 3.52 H new ATOM 0 HZ1 LYS A 39 52.223 5.449 -0.447 1.00 4.37 H new ATOM 0 HZ2 LYS A 39 53.404 4.264 -0.156 1.00 4.37 H new ATOM 0 HZ3 LYS A 39 51.866 3.810 -0.716 1.00 4.37 H new ATOM 601 N GLU A 40 56.841 3.691 -0.124 1.00 0.96 N ATOM 602 CA GLU A 40 57.014 3.654 -1.604 1.00 0.95 C ATOM 603 C GLU A 40 58.209 2.775 -1.979 1.00 0.84 C ATOM 604 O GLU A 40 58.866 2.996 -2.977 1.00 0.95 O ATOM 605 CB GLU A 40 57.269 5.106 -2.007 1.00 1.08 C ATOM 606 CG GLU A 40 56.177 5.999 -1.418 1.00 1.33 C ATOM 607 CD GLU A 40 56.076 7.290 -2.232 1.00 1.85 C ATOM 608 OE1 GLU A 40 56.864 8.186 -1.982 1.00 1.99 O ATOM 609 OE2 GLU A 40 55.214 7.359 -3.092 1.00 2.70 O ATOM 0 H GLU A 40 57.458 4.336 0.370 1.00 0.96 H new ATOM 0 HA GLU A 40 56.144 3.235 -2.110 1.00 0.95 H new ATOM 0 HB2 GLU A 40 58.248 5.427 -1.650 1.00 1.08 H new ATOM 0 HB3 GLU A 40 57.281 5.196 -3.093 1.00 1.08 H new ATOM 0 HG2 GLU A 40 55.221 5.476 -1.427 1.00 1.33 H new ATOM 0 HG3 GLU A 40 56.404 6.230 -0.377 1.00 1.33 H new ATOM 616 N LEU A 41 58.498 1.780 -1.186 1.00 0.81 N ATOM 617 CA LEU A 41 59.652 0.889 -1.500 1.00 0.75 C ATOM 618 C LEU A 41 59.150 -0.490 -1.934 1.00 0.77 C ATOM 619 O LEU A 41 59.782 -1.174 -2.714 1.00 0.77 O ATOM 620 CB LEU A 41 60.443 0.788 -0.196 1.00 0.82 C ATOM 621 CG LEU A 41 61.630 1.751 -0.247 1.00 0.89 C ATOM 622 CD1 LEU A 41 62.413 1.666 1.064 1.00 1.10 C ATOM 623 CD2 LEU A 41 62.546 1.368 -1.411 1.00 1.20 C ATOM 0 H LEU A 41 57.986 1.545 -0.335 1.00 0.81 H new ATOM 0 HA LEU A 41 60.263 1.276 -2.316 1.00 0.75 H new ATOM 0 HB2 LEU A 41 59.801 1.029 0.651 1.00 0.82 H new ATOM 0 HB3 LEU A 41 60.795 -0.233 -0.049 1.00 0.82 H new ATOM 0 HG LEU A 41 61.266 2.769 -0.388 1.00 0.89 H new ATOM 0 HD11 LEU A 41 63.259 2.352 1.028 1.00 1.10 H new ATOM 0 HD12 LEU A 41 61.762 1.937 1.895 1.00 1.10 H new ATOM 0 HD13 LEU A 41 62.777 0.648 1.205 1.00 1.10 H new ATOM 0 HD21 LEU A 41 63.393 2.054 -1.449 1.00 1.20 H new ATOM 0 HD22 LEU A 41 62.909 0.350 -1.268 1.00 1.20 H new ATOM 0 HD23 LEU A 41 61.990 1.427 -2.346 1.00 1.20 H new ATOM 635 N GLY A 42 58.016 -0.903 -1.439 1.00 0.88 N ATOM 636 CA GLY A 42 57.480 -2.235 -1.833 1.00 1.02 C ATOM 637 C GLY A 42 57.479 -2.344 -3.357 1.00 0.99 C ATOM 638 O GLY A 42 58.155 -3.177 -3.929 1.00 1.11 O ATOM 0 H GLY A 42 57.440 -0.378 -0.781 1.00 0.88 H new ATOM 0 HA2 GLY A 42 58.089 -3.028 -1.400 1.00 1.02 H new ATOM 0 HA3 GLY A 42 56.469 -2.363 -1.446 1.00 1.02 H new ATOM 642 N LYS A 43 56.734 -1.505 -4.021 1.00 0.91 N ATOM 643 CA LYS A 43 56.699 -1.556 -5.510 1.00 1.00 C ATOM 644 C LYS A 43 58.105 -1.328 -6.069 1.00 0.84 C ATOM 645 O LYS A 43 58.466 -1.847 -7.106 1.00 0.89 O ATOM 646 CB LYS A 43 55.764 -0.421 -5.927 1.00 1.12 C ATOM 647 CG LYS A 43 54.382 -0.649 -5.311 1.00 1.32 C ATOM 648 CD LYS A 43 53.591 0.660 -5.329 1.00 1.85 C ATOM 649 CE LYS A 43 52.474 0.595 -4.286 1.00 2.24 C ATOM 650 NZ LYS A 43 52.270 2.005 -3.852 1.00 2.80 N ATOM 0 H LYS A 43 56.148 -0.786 -3.597 1.00 0.91 H new ATOM 0 HA LYS A 43 56.355 -2.520 -5.886 1.00 1.00 H new ATOM 0 HB2 LYS A 43 56.167 0.537 -5.598 1.00 1.12 H new ATOM 0 HB3 LYS A 43 55.688 -0.379 -7.013 1.00 1.12 H new ATOM 0 HG2 LYS A 43 53.846 -1.417 -5.869 1.00 1.32 H new ATOM 0 HG3 LYS A 43 54.484 -1.010 -4.288 1.00 1.32 H new ATOM 0 HD2 LYS A 43 54.253 1.500 -5.117 1.00 1.85 H new ATOM 0 HD3 LYS A 43 53.169 0.829 -6.320 1.00 1.85 H new ATOM 0 HE2 LYS A 43 51.561 0.177 -4.711 1.00 2.24 H new ATOM 0 HE3 LYS A 43 52.755 -0.040 -3.446 1.00 2.24 H new ATOM 0 HZ1 LYS A 43 51.517 2.042 -3.135 1.00 2.80 H new ATOM 0 HZ2 LYS A 43 53.153 2.374 -3.446 1.00 2.80 H new ATOM 0 HZ3 LYS A 43 51.997 2.584 -4.671 1.00 2.80 H new ATOM 664 N VAL A 44 58.903 -0.557 -5.381 1.00 0.75 N ATOM 665 CA VAL A 44 60.288 -0.297 -5.862 1.00 0.68 C ATOM 666 C VAL A 44 61.087 -1.602 -5.872 1.00 0.68 C ATOM 667 O VAL A 44 61.651 -1.989 -6.876 1.00 0.76 O ATOM 668 CB VAL A 44 60.878 0.687 -4.852 1.00 0.72 C ATOM 669 CG1 VAL A 44 62.399 0.729 -5.005 1.00 1.10 C ATOM 670 CG2 VAL A 44 60.301 2.082 -5.105 1.00 1.70 C ATOM 0 H VAL A 44 58.654 -0.096 -4.506 1.00 0.75 H new ATOM 0 HA VAL A 44 60.311 0.101 -6.876 1.00 0.68 H new ATOM 0 HB VAL A 44 60.625 0.365 -3.842 1.00 0.72 H new ATOM 0 HG11 VAL A 44 62.818 1.431 -4.284 1.00 1.10 H new ATOM 0 HG12 VAL A 44 62.810 -0.264 -4.825 1.00 1.10 H new ATOM 0 HG13 VAL A 44 62.654 1.050 -6.015 1.00 1.10 H new ATOM 0 HG21 VAL A 44 60.721 2.785 -4.386 1.00 1.70 H new ATOM 0 HG22 VAL A 44 60.554 2.403 -6.116 1.00 1.70 H new ATOM 0 HG23 VAL A 44 59.217 2.053 -4.994 1.00 1.70 H new ATOM 680 N MET A 45 61.133 -2.285 -4.760 1.00 0.79 N ATOM 681 CA MET A 45 61.891 -3.567 -4.705 1.00 0.99 C ATOM 682 C MET A 45 61.527 -4.443 -5.906 1.00 1.03 C ATOM 683 O MET A 45 62.337 -5.200 -6.403 1.00 1.16 O ATOM 684 CB MET A 45 61.451 -4.232 -3.400 1.00 1.26 C ATOM 685 CG MET A 45 62.426 -3.856 -2.281 1.00 1.54 C ATOM 686 SD MET A 45 63.722 -5.114 -2.160 1.00 2.11 S ATOM 687 CE MET A 45 65.103 -4.068 -2.679 1.00 1.74 C ATOM 0 H MET A 45 60.679 -2.011 -3.889 1.00 0.79 H new ATOM 0 HA MET A 45 62.970 -3.414 -4.738 1.00 0.99 H new ATOM 0 HB2 MET A 45 60.442 -3.914 -3.140 1.00 1.26 H new ATOM 0 HB3 MET A 45 61.422 -5.315 -3.523 1.00 1.26 H new ATOM 0 HG2 MET A 45 62.869 -2.881 -2.483 1.00 1.54 H new ATOM 0 HG3 MET A 45 61.894 -3.774 -1.333 1.00 1.54 H new ATOM 0 HE1 MET A 45 65.226 -4.137 -3.760 1.00 1.74 H new ATOM 0 HE2 MET A 45 64.900 -3.033 -2.402 1.00 1.74 H new ATOM 0 HE3 MET A 45 66.017 -4.402 -2.188 1.00 1.74 H new ATOM 697 N ARG A 46 60.315 -4.341 -6.378 1.00 1.05 N ATOM 698 CA ARG A 46 59.901 -5.163 -7.551 1.00 1.22 C ATOM 699 C ARG A 46 60.582 -4.644 -8.818 1.00 1.26 C ATOM 700 O ARG A 46 61.051 -5.407 -9.640 1.00 1.51 O ATOM 701 CB ARG A 46 58.384 -4.990 -7.641 1.00 1.28 C ATOM 702 CG ARG A 46 57.700 -6.329 -7.362 1.00 1.46 C ATOM 703 CD ARG A 46 56.225 -6.244 -7.763 1.00 1.98 C ATOM 704 NE ARG A 46 55.479 -6.803 -6.602 1.00 2.34 N ATOM 705 CZ ARG A 46 54.743 -7.871 -6.752 1.00 2.82 C ATOM 706 NH1 ARG A 46 55.279 -9.055 -6.630 1.00 3.34 N ATOM 707 NH2 ARG A 46 53.472 -7.754 -7.024 1.00 3.26 N ATOM 0 H ARG A 46 59.594 -3.725 -6.003 1.00 1.05 H new ATOM 0 HA ARG A 46 60.182 -6.211 -7.446 1.00 1.22 H new ATOM 0 HB2 ARG A 46 58.049 -4.242 -6.922 1.00 1.28 H new ATOM 0 HB3 ARG A 46 58.107 -4.627 -8.631 1.00 1.28 H new ATOM 0 HG2 ARG A 46 58.194 -7.125 -7.920 1.00 1.46 H new ATOM 0 HG3 ARG A 46 57.786 -6.580 -6.305 1.00 1.46 H new ATOM 0 HD2 ARG A 46 55.929 -5.214 -7.964 1.00 1.98 H new ATOM 0 HD3 ARG A 46 56.029 -6.815 -8.671 1.00 1.98 H new ATOM 0 HE ARG A 46 55.543 -6.352 -5.690 1.00 2.34 H new ATOM 0 HH11 ARG A 46 56.273 -9.146 -6.418 1.00 3.34 H new ATOM 0 HH12 ARG A 46 54.704 -9.890 -6.747 1.00 3.34 H new ATOM 0 HH21 ARG A 46 53.054 -6.829 -7.119 1.00 3.26 H new ATOM 0 HH22 ARG A 46 52.897 -8.588 -7.141 1.00 3.26 H new ATOM 721 N MET A 47 60.646 -3.351 -8.982 1.00 1.11 N ATOM 722 CA MET A 47 61.304 -2.784 -10.194 1.00 1.26 C ATOM 723 C MET A 47 62.742 -3.300 -10.296 1.00 1.19 C ATOM 724 O MET A 47 63.164 -3.794 -11.322 1.00 1.31 O ATOM 725 CB MET A 47 61.291 -1.269 -9.983 1.00 1.28 C ATOM 726 CG MET A 47 59.858 -0.747 -10.100 1.00 1.46 C ATOM 727 SD MET A 47 59.837 1.035 -9.789 1.00 1.99 S ATOM 728 CE MET A 47 61.112 1.489 -10.991 1.00 2.19 C ATOM 0 H MET A 47 60.271 -2.662 -8.329 1.00 1.11 H new ATOM 0 HA MET A 47 60.794 -3.068 -11.115 1.00 1.26 H new ATOM 0 HB2 MET A 47 61.699 -1.025 -9.002 1.00 1.28 H new ATOM 0 HB3 MET A 47 61.927 -0.783 -10.723 1.00 1.28 H new ATOM 0 HG2 MET A 47 59.463 -0.958 -11.094 1.00 1.46 H new ATOM 0 HG3 MET A 47 59.214 -1.259 -9.385 1.00 1.46 H new ATOM 0 HE1 MET A 47 60.959 2.519 -11.312 1.00 2.19 H new ATOM 0 HE2 MET A 47 62.096 1.394 -10.531 1.00 2.19 H new ATOM 0 HE3 MET A 47 61.050 0.827 -11.855 1.00 2.19 H new ATOM 738 N LEU A 48 63.495 -3.189 -9.236 1.00 1.09 N ATOM 739 CA LEU A 48 64.905 -3.671 -9.268 1.00 1.18 C ATOM 740 C LEU A 48 64.946 -5.176 -9.555 1.00 1.51 C ATOM 741 O LEU A 48 65.874 -5.677 -10.159 1.00 1.89 O ATOM 742 CB LEU A 48 65.451 -3.379 -7.870 1.00 1.18 C ATOM 743 CG LEU A 48 65.494 -1.866 -7.645 1.00 1.35 C ATOM 744 CD1 LEU A 48 65.876 -1.575 -6.192 1.00 2.05 C ATOM 745 CD2 LEU A 48 66.534 -1.244 -8.578 1.00 1.70 C ATOM 0 H LEU A 48 63.195 -2.785 -8.349 1.00 1.09 H new ATOM 0 HA LEU A 48 65.491 -3.184 -10.048 1.00 1.18 H new ATOM 0 HB2 LEU A 48 64.822 -3.852 -7.116 1.00 1.18 H new ATOM 0 HB3 LEU A 48 66.450 -3.802 -7.762 1.00 1.18 H new ATOM 0 HG LEU A 48 64.513 -1.440 -7.854 1.00 1.35 H new ATOM 0 HD11 LEU A 48 65.906 -0.497 -6.033 1.00 2.05 H new ATOM 0 HD12 LEU A 48 65.137 -2.020 -5.525 1.00 2.05 H new ATOM 0 HD13 LEU A 48 66.857 -2.001 -5.981 1.00 2.05 H new ATOM 0 HD21 LEU A 48 66.566 -0.166 -8.420 1.00 1.70 H new ATOM 0 HD22 LEU A 48 67.514 -1.672 -8.367 1.00 1.70 H new ATOM 0 HD23 LEU A 48 66.264 -1.451 -9.614 1.00 1.70 H new ATOM 757 N GLY A 49 63.947 -5.898 -9.131 1.00 1.56 N ATOM 758 CA GLY A 49 63.930 -7.368 -9.384 1.00 1.97 C ATOM 759 C GLY A 49 63.763 -8.123 -8.064 1.00 1.69 C ATOM 760 O GLY A 49 64.083 -9.291 -7.964 1.00 1.87 O ATOM 0 H GLY A 49 63.142 -5.536 -8.621 1.00 1.56 H new ATOM 0 HA2 GLY A 49 63.115 -7.619 -10.062 1.00 1.97 H new ATOM 0 HA3 GLY A 49 64.856 -7.672 -9.872 1.00 1.97 H new ATOM 764 N GLN A 50 63.263 -7.472 -7.050 1.00 1.38 N ATOM 765 CA GLN A 50 63.076 -8.162 -5.740 1.00 1.26 C ATOM 766 C GLN A 50 61.585 -8.326 -5.442 1.00 1.19 C ATOM 767 O GLN A 50 60.741 -7.830 -6.161 1.00 1.25 O ATOM 768 CB GLN A 50 63.734 -7.244 -4.709 1.00 1.39 C ATOM 769 CG GLN A 50 65.255 -7.369 -4.812 1.00 1.69 C ATOM 770 CD GLN A 50 65.839 -7.670 -3.430 1.00 2.12 C ATOM 771 OE1 GLN A 50 65.460 -8.633 -2.795 1.00 2.58 O ATOM 772 NE2 GLN A 50 66.753 -6.881 -2.935 1.00 2.76 N ATOM 0 H GLN A 50 62.976 -6.493 -7.071 1.00 1.38 H new ATOM 0 HA GLN A 50 63.514 -9.160 -5.731 1.00 1.26 H new ATOM 0 HB2 GLN A 50 63.431 -6.211 -4.880 1.00 1.39 H new ATOM 0 HB3 GLN A 50 63.404 -7.511 -3.705 1.00 1.39 H new ATOM 0 HG2 GLN A 50 65.518 -8.163 -5.510 1.00 1.69 H new ATOM 0 HG3 GLN A 50 65.680 -6.445 -5.205 1.00 1.69 H new ATOM 0 HE21 GLN A 50 67.072 -6.072 -3.468 1.00 2.76 H new ATOM 0 HE22 GLN A 50 67.149 -7.073 -2.015 1.00 2.76 H new ATOM 781 N ASN A 51 61.250 -9.018 -4.388 1.00 1.22 N ATOM 782 CA ASN A 51 59.810 -9.209 -4.053 1.00 1.29 C ATOM 783 C ASN A 51 59.629 -9.376 -2.541 1.00 1.25 C ATOM 784 O ASN A 51 59.203 -10.416 -2.079 1.00 1.41 O ATOM 785 CB ASN A 51 59.397 -10.486 -4.785 1.00 1.54 C ATOM 786 CG ASN A 51 59.349 -10.219 -6.291 1.00 1.88 C ATOM 787 OD1 ASN A 51 58.655 -9.327 -6.738 1.00 2.25 O ATOM 788 ND2 ASN A 51 60.061 -10.958 -7.096 1.00 2.57 N ATOM 0 H ASN A 51 61.909 -9.458 -3.746 1.00 1.22 H new ATOM 0 HA ASN A 51 59.204 -8.353 -4.350 1.00 1.29 H new ATOM 0 HB2 ASN A 51 60.105 -11.286 -4.569 1.00 1.54 H new ATOM 0 HB3 ASN A 51 58.421 -10.820 -4.433 1.00 1.54 H new ATOM 0 HD21 ASN A 51 60.036 -10.787 -8.101 1.00 2.57 H new ATOM 0 HD22 ASN A 51 60.643 -11.706 -6.720 1.00 2.57 H new ATOM 795 N PRO A 52 59.959 -8.339 -1.819 1.00 1.15 N ATOM 796 CA PRO A 52 59.828 -8.370 -0.342 1.00 1.20 C ATOM 797 C PRO A 52 58.356 -8.254 0.063 1.00 1.33 C ATOM 798 O PRO A 52 57.508 -7.898 -0.732 1.00 1.45 O ATOM 799 CB PRO A 52 60.612 -7.144 0.113 1.00 1.19 C ATOM 800 CG PRO A 52 60.590 -6.211 -1.056 1.00 1.20 C ATOM 801 CD PRO A 52 60.481 -7.055 -2.301 1.00 1.14 C ATOM 0 HA PRO A 52 60.196 -9.295 0.102 1.00 1.20 H new ATOM 0 HB2 PRO A 52 60.155 -6.687 0.991 1.00 1.19 H new ATOM 0 HB3 PRO A 52 61.633 -7.409 0.387 1.00 1.19 H new ATOM 0 HG2 PRO A 52 59.748 -5.523 -0.983 1.00 1.20 H new ATOM 0 HG3 PRO A 52 61.495 -5.605 -1.081 1.00 1.20 H new ATOM 0 HD2 PRO A 52 59.812 -6.602 -3.032 1.00 1.14 H new ATOM 0 HD3 PRO A 52 61.449 -7.176 -2.787 1.00 1.14 H new ATOM 809 N THR A 53 58.044 -8.549 1.295 1.00 1.39 N ATOM 810 CA THR A 53 56.627 -8.452 1.750 1.00 1.58 C ATOM 811 C THR A 53 56.352 -7.056 2.316 1.00 1.47 C ATOM 812 O THR A 53 57.247 -6.240 2.418 1.00 1.27 O ATOM 813 CB THR A 53 56.485 -9.511 2.845 1.00 1.77 C ATOM 814 OG1 THR A 53 57.776 -9.924 3.274 1.00 1.69 O ATOM 815 CG2 THR A 53 55.720 -10.717 2.296 1.00 1.97 C ATOM 0 H THR A 53 58.708 -8.853 2.007 1.00 1.39 H new ATOM 0 HA THR A 53 55.920 -8.613 0.936 1.00 1.58 H new ATOM 0 HB THR A 53 55.938 -9.089 3.688 1.00 1.77 H new ATOM 0 HG1 THR A 53 57.686 -10.601 3.977 1.00 1.69 H new ATOM 0 HG21 THR A 53 55.620 -11.471 3.077 1.00 1.97 H new ATOM 0 HG22 THR A 53 54.730 -10.401 1.967 1.00 1.97 H new ATOM 0 HG23 THR A 53 56.265 -11.140 1.452 1.00 1.97 H new ATOM 823 N PRO A 54 55.118 -6.830 2.665 1.00 1.64 N ATOM 824 CA PRO A 54 54.713 -5.520 3.229 1.00 1.63 C ATOM 825 C PRO A 54 55.266 -5.356 4.650 1.00 1.55 C ATOM 826 O PRO A 54 55.492 -4.256 5.112 1.00 1.47 O ATOM 827 CB PRO A 54 53.188 -5.587 3.234 1.00 1.92 C ATOM 828 CG PRO A 54 52.865 -7.047 3.273 1.00 2.08 C ATOM 829 CD PRO A 54 53.990 -7.765 2.571 1.00 1.93 C ATOM 0 HA PRO A 54 55.091 -4.671 2.660 1.00 1.63 H new ATOM 0 HB2 PRO A 54 52.773 -5.068 4.098 1.00 1.92 H new ATOM 0 HB3 PRO A 54 52.769 -5.114 2.346 1.00 1.92 H new ATOM 0 HG2 PRO A 54 52.769 -7.394 4.302 1.00 2.08 H new ATOM 0 HG3 PRO A 54 51.913 -7.245 2.780 1.00 2.08 H new ATOM 0 HD2 PRO A 54 54.218 -8.716 3.052 1.00 1.93 H new ATOM 0 HD3 PRO A 54 53.738 -7.984 1.533 1.00 1.93 H new ATOM 837 N GLU A 55 55.488 -6.440 5.342 1.00 1.61 N ATOM 838 CA GLU A 55 56.031 -6.342 6.728 1.00 1.58 C ATOM 839 C GLU A 55 57.557 -6.214 6.692 1.00 1.42 C ATOM 840 O GLU A 55 58.144 -5.446 7.429 1.00 1.36 O ATOM 841 CB GLU A 55 55.620 -7.648 7.411 1.00 1.74 C ATOM 842 CG GLU A 55 56.144 -7.658 8.849 1.00 2.16 C ATOM 843 CD GLU A 55 57.143 -8.803 9.019 1.00 2.56 C ATOM 844 OE1 GLU A 55 57.944 -9.004 8.119 1.00 2.83 O ATOM 845 OE2 GLU A 55 57.091 -9.461 10.044 1.00 3.10 O ATOM 0 H GLU A 55 55.317 -7.389 5.009 1.00 1.61 H new ATOM 0 HA GLU A 55 55.651 -5.468 7.257 1.00 1.58 H new ATOM 0 HB2 GLU A 55 54.535 -7.747 7.407 1.00 1.74 H new ATOM 0 HB3 GLU A 55 56.020 -8.500 6.861 1.00 1.74 H new ATOM 0 HG2 GLU A 55 56.623 -6.706 9.080 1.00 2.16 H new ATOM 0 HG3 GLU A 55 55.316 -7.776 9.548 1.00 2.16 H new ATOM 852 N GLU A 56 58.203 -6.964 5.841 1.00 1.38 N ATOM 853 CA GLU A 56 59.691 -6.891 5.756 1.00 1.26 C ATOM 854 C GLU A 56 60.136 -5.484 5.348 1.00 1.14 C ATOM 855 O GLU A 56 61.244 -5.070 5.622 1.00 1.07 O ATOM 856 CB GLU A 56 60.074 -7.907 4.680 1.00 1.32 C ATOM 857 CG GLU A 56 60.047 -9.318 5.273 1.00 2.10 C ATOM 858 CD GLU A 56 61.010 -9.392 6.460 1.00 2.79 C ATOM 859 OE1 GLU A 56 62.199 -9.233 6.242 1.00 3.18 O ATOM 860 OE2 GLU A 56 60.541 -9.606 7.566 1.00 3.40 O ATOM 0 H GLU A 56 57.765 -7.625 5.200 1.00 1.38 H new ATOM 0 HA GLU A 56 60.168 -7.106 6.712 1.00 1.26 H new ATOM 0 HB2 GLU A 56 59.382 -7.841 3.841 1.00 1.32 H new ATOM 0 HB3 GLU A 56 61.068 -7.684 4.292 1.00 1.32 H new ATOM 0 HG2 GLU A 56 59.036 -9.569 5.595 1.00 2.10 H new ATOM 0 HG3 GLU A 56 60.331 -10.048 4.515 1.00 2.10 H new ATOM 867 N LEU A 57 59.281 -4.747 4.693 1.00 1.17 N ATOM 868 CA LEU A 57 59.662 -3.368 4.269 1.00 1.13 C ATOM 869 C LEU A 57 60.055 -2.528 5.486 1.00 1.06 C ATOM 870 O LEU A 57 61.213 -2.221 5.693 1.00 1.02 O ATOM 871 CB LEU A 57 58.407 -2.799 3.606 1.00 1.24 C ATOM 872 CG LEU A 57 58.570 -2.837 2.086 1.00 1.41 C ATOM 873 CD1 LEU A 57 57.191 -2.824 1.423 1.00 1.93 C ATOM 874 CD2 LEU A 57 59.366 -1.612 1.629 1.00 1.87 C ATOM 0 H LEU A 57 58.338 -5.038 4.433 1.00 1.17 H new ATOM 0 HA LEU A 57 60.518 -3.365 3.594 1.00 1.13 H new ATOM 0 HB2 LEU A 57 57.532 -3.377 3.903 1.00 1.24 H new ATOM 0 HB3 LEU A 57 58.240 -1.775 3.939 1.00 1.24 H new ATOM 0 HG LEU A 57 59.101 -3.745 1.800 1.00 1.41 H new ATOM 0 HD11 LEU A 57 57.308 -2.851 0.340 1.00 1.93 H new ATOM 0 HD12 LEU A 57 56.623 -3.695 1.749 1.00 1.93 H new ATOM 0 HD13 LEU A 57 56.659 -1.916 1.708 1.00 1.93 H new ATOM 0 HD21 LEU A 57 59.483 -1.638 0.546 1.00 1.87 H new ATOM 0 HD22 LEU A 57 58.834 -0.705 1.915 1.00 1.87 H new ATOM 0 HD23 LEU A 57 60.349 -1.620 2.100 1.00 1.87 H new ATOM 886 N GLN A 58 59.102 -2.153 6.293 1.00 1.09 N ATOM 887 CA GLN A 58 59.421 -1.331 7.497 1.00 1.08 C ATOM 888 C GLN A 58 60.364 -2.095 8.431 1.00 1.04 C ATOM 889 O GLN A 58 60.921 -1.538 9.356 1.00 1.05 O ATOM 890 CB GLN A 58 58.076 -1.087 8.179 1.00 1.15 C ATOM 891 CG GLN A 58 58.303 -0.357 9.504 1.00 1.39 C ATOM 892 CD GLN A 58 59.002 0.978 9.237 1.00 1.62 C ATOM 893 OE1 GLN A 58 58.790 1.593 8.211 1.00 2.20 O ATOM 894 NE2 GLN A 58 59.834 1.453 10.123 1.00 1.88 N ATOM 0 H GLN A 58 58.115 -2.380 6.172 1.00 1.09 H new ATOM 0 HA GLN A 58 59.922 -0.399 7.236 1.00 1.08 H new ATOM 0 HB2 GLN A 58 57.429 -0.495 7.531 1.00 1.15 H new ATOM 0 HB3 GLN A 58 57.568 -2.035 8.356 1.00 1.15 H new ATOM 0 HG2 GLN A 58 57.350 -0.187 10.006 1.00 1.39 H new ATOM 0 HG3 GLN A 58 58.909 -0.970 10.170 1.00 1.39 H new ATOM 0 HE21 GLN A 58 60.012 0.936 10.984 1.00 1.88 H new ATOM 0 HE22 GLN A 58 60.307 2.341 9.954 1.00 1.88 H new ATOM 903 N GLU A 59 60.545 -3.366 8.200 1.00 1.07 N ATOM 904 CA GLU A 59 61.450 -4.160 9.080 1.00 1.09 C ATOM 905 C GLU A 59 62.915 -3.905 8.709 1.00 1.07 C ATOM 906 O GLU A 59 63.702 -3.465 9.523 1.00 1.08 O ATOM 907 CB GLU A 59 61.077 -5.619 8.815 1.00 1.17 C ATOM 908 CG GLU A 59 61.609 -6.496 9.952 1.00 1.28 C ATOM 909 CD GLU A 59 60.591 -7.593 10.270 1.00 1.84 C ATOM 910 OE1 GLU A 59 59.671 -7.764 9.488 1.00 2.48 O ATOM 911 OE2 GLU A 59 60.750 -8.243 11.290 1.00 2.18 O ATOM 0 H GLU A 59 60.107 -3.889 7.442 1.00 1.07 H new ATOM 0 HA GLU A 59 61.340 -3.893 10.131 1.00 1.09 H new ATOM 0 HB2 GLU A 59 59.994 -5.721 8.739 1.00 1.17 H new ATOM 0 HB3 GLU A 59 61.496 -5.946 7.863 1.00 1.17 H new ATOM 0 HG2 GLU A 59 62.562 -6.941 9.667 1.00 1.28 H new ATOM 0 HG3 GLU A 59 61.794 -5.889 10.838 1.00 1.28 H new ATOM 918 N MET A 60 63.286 -4.184 7.489 1.00 1.08 N ATOM 919 CA MET A 60 64.700 -3.962 7.069 1.00 1.09 C ATOM 920 C MET A 60 65.066 -2.480 7.183 1.00 1.10 C ATOM 921 O MET A 60 66.224 -2.113 7.145 1.00 1.47 O ATOM 922 CB MET A 60 64.759 -4.417 5.611 1.00 1.09 C ATOM 923 CG MET A 60 63.839 -3.537 4.763 1.00 1.42 C ATOM 924 SD MET A 60 63.705 -4.234 3.098 1.00 1.89 S ATOM 925 CE MET A 60 65.475 -4.488 2.818 1.00 1.71 C ATOM 0 H MET A 60 62.672 -4.556 6.765 1.00 1.08 H new ATOM 0 HA MET A 60 65.403 -4.509 7.696 1.00 1.09 H new ATOM 0 HB2 MET A 60 65.782 -4.354 5.241 1.00 1.09 H new ATOM 0 HB3 MET A 60 64.455 -5.461 5.532 1.00 1.09 H new ATOM 0 HG2 MET A 60 62.853 -3.474 5.223 1.00 1.42 H new ATOM 0 HG3 MET A 60 64.233 -2.522 4.713 1.00 1.42 H new ATOM 0 HE1 MET A 60 65.661 -4.610 1.751 1.00 1.71 H new ATOM 0 HE2 MET A 60 66.029 -3.625 3.187 1.00 1.71 H new ATOM 0 HE3 MET A 60 65.802 -5.383 3.347 1.00 1.71 H new ATOM 935 N ILE A 61 64.092 -1.623 7.320 1.00 0.91 N ATOM 936 CA ILE A 61 64.394 -0.166 7.436 1.00 0.95 C ATOM 937 C ILE A 61 64.491 0.239 8.909 1.00 0.94 C ATOM 938 O ILE A 61 65.378 0.970 9.304 1.00 1.06 O ATOM 939 CB ILE A 61 63.219 0.537 6.759 1.00 1.03 C ATOM 940 CG1 ILE A 61 63.351 0.401 5.240 1.00 1.35 C ATOM 941 CG2 ILE A 61 63.223 2.018 7.138 1.00 1.55 C ATOM 942 CD1 ILE A 61 62.027 0.784 4.576 1.00 1.56 C ATOM 0 H ILE A 61 63.102 -1.866 7.357 1.00 0.91 H new ATOM 0 HA ILE A 61 65.345 0.097 6.974 1.00 0.95 H new ATOM 0 HB ILE A 61 62.285 0.080 7.087 1.00 1.03 H new ATOM 0 HG12 ILE A 61 64.152 1.044 4.875 1.00 1.35 H new ATOM 0 HG13 ILE A 61 63.619 -0.623 4.978 1.00 1.35 H new ATOM 0 HG21 ILE A 61 62.384 2.519 6.655 1.00 1.55 H new ATOM 0 HG22 ILE A 61 63.131 2.117 8.220 1.00 1.55 H new ATOM 0 HG23 ILE A 61 64.157 2.475 6.810 1.00 1.55 H new ATOM 0 HD11 ILE A 61 62.121 0.687 3.494 1.00 1.56 H new ATOM 0 HD12 ILE A 61 61.237 0.123 4.932 1.00 1.56 H new ATOM 0 HD13 ILE A 61 61.779 1.815 4.828 1.00 1.56 H new ATOM 954 N ASP A 62 63.586 -0.228 9.726 1.00 1.09 N ATOM 955 CA ASP A 62 63.633 0.132 11.172 1.00 1.09 C ATOM 956 C ASP A 62 64.934 -0.377 11.801 1.00 1.11 C ATOM 957 O ASP A 62 65.307 0.021 12.887 1.00 1.24 O ATOM 958 CB ASP A 62 62.427 -0.573 11.795 1.00 1.22 C ATOM 959 CG ASP A 62 62.291 -0.153 13.261 1.00 1.40 C ATOM 960 OD1 ASP A 62 63.000 -0.709 14.083 1.00 1.91 O ATOM 961 OD2 ASP A 62 61.481 0.716 13.535 1.00 1.87 O ATOM 0 H ASP A 62 62.818 -0.842 9.455 1.00 1.09 H new ATOM 0 HA ASP A 62 63.603 1.210 11.330 1.00 1.09 H new ATOM 0 HB2 ASP A 62 61.520 -0.318 11.247 1.00 1.22 H new ATOM 0 HB3 ASP A 62 62.548 -1.654 11.725 1.00 1.22 H new ATOM 966 N GLU A 63 65.625 -1.253 11.126 1.00 1.18 N ATOM 967 CA GLU A 63 66.900 -1.789 11.685 1.00 1.31 C ATOM 968 C GLU A 63 68.093 -0.983 11.160 1.00 1.18 C ATOM 969 O GLU A 63 69.159 -0.987 11.743 1.00 1.41 O ATOM 970 CB GLU A 63 66.969 -3.234 11.196 1.00 1.50 C ATOM 971 CG GLU A 63 65.697 -3.974 11.614 1.00 1.93 C ATOM 972 CD GLU A 63 65.780 -4.331 13.098 1.00 1.91 C ATOM 973 OE1 GLU A 63 66.885 -4.483 13.591 1.00 2.33 O ATOM 974 OE2 GLU A 63 64.735 -4.448 13.719 1.00 2.24 O ATOM 0 H GLU A 63 65.363 -1.622 10.212 1.00 1.18 H new ATOM 0 HA GLU A 63 66.933 -1.725 12.773 1.00 1.31 H new ATOM 0 HB2 GLU A 63 67.077 -3.258 10.112 1.00 1.50 H new ATOM 0 HB3 GLU A 63 67.845 -3.729 11.614 1.00 1.50 H new ATOM 0 HG2 GLU A 63 64.823 -3.350 11.427 1.00 1.93 H new ATOM 0 HG3 GLU A 63 65.577 -4.878 11.018 1.00 1.93 H new ATOM 981 N VAL A 64 67.923 -0.292 10.066 1.00 0.93 N ATOM 982 CA VAL A 64 69.053 0.511 9.515 1.00 0.92 C ATOM 983 C VAL A 64 68.730 2.006 9.595 1.00 0.95 C ATOM 984 O VAL A 64 69.584 2.848 9.395 1.00 1.37 O ATOM 985 CB VAL A 64 69.198 0.058 8.060 1.00 0.91 C ATOM 986 CG1 VAL A 64 68.017 0.562 7.226 1.00 1.66 C ATOM 987 CG2 VAL A 64 70.501 0.615 7.483 1.00 1.51 C ATOM 0 H VAL A 64 67.055 -0.248 9.532 1.00 0.93 H new ATOM 0 HA VAL A 64 69.977 0.361 10.074 1.00 0.92 H new ATOM 0 HB VAL A 64 69.214 -1.031 8.028 1.00 0.91 H new ATOM 0 HG11 VAL A 64 68.134 0.232 6.194 1.00 1.66 H new ATOM 0 HG12 VAL A 64 67.088 0.162 7.632 1.00 1.66 H new ATOM 0 HG13 VAL A 64 67.988 1.651 7.258 1.00 1.66 H new ATOM 0 HG21 VAL A 64 70.607 0.294 6.447 1.00 1.51 H new ATOM 0 HG22 VAL A 64 70.481 1.704 7.525 1.00 1.51 H new ATOM 0 HG23 VAL A 64 71.345 0.245 8.065 1.00 1.51 H new ATOM 997 N ASP A 65 67.504 2.341 9.892 1.00 0.96 N ATOM 998 CA ASP A 65 67.126 3.782 9.989 1.00 1.02 C ATOM 999 C ASP A 65 67.385 4.299 11.407 1.00 1.06 C ATOM 1000 O ASP A 65 66.477 4.443 12.202 1.00 1.22 O ATOM 1001 CB ASP A 65 65.631 3.823 9.669 1.00 1.24 C ATOM 1002 CG ASP A 65 65.236 5.246 9.272 1.00 1.68 C ATOM 1003 OD1 ASP A 65 65.937 5.830 8.462 1.00 2.50 O ATOM 1004 OD2 ASP A 65 64.240 5.728 9.785 1.00 1.96 O ATOM 0 H ASP A 65 66.748 1.681 10.072 1.00 0.96 H new ATOM 0 HA ASP A 65 67.705 4.408 9.310 1.00 1.02 H new ATOM 0 HB2 ASP A 65 65.402 3.131 8.859 1.00 1.24 H new ATOM 0 HB3 ASP A 65 65.053 3.502 10.536 1.00 1.24 H new ATOM 1009 N GLU A 66 68.618 4.575 11.731 1.00 1.15 N ATOM 1010 CA GLU A 66 68.936 5.080 13.098 1.00 1.37 C ATOM 1011 C GLU A 66 68.422 6.512 13.269 1.00 1.34 C ATOM 1012 O GLU A 66 68.361 7.032 14.365 1.00 1.62 O ATOM 1013 CB GLU A 66 70.462 5.045 13.187 1.00 1.74 C ATOM 1014 CG GLU A 66 71.057 5.981 12.134 1.00 1.95 C ATOM 1015 CD GLU A 66 72.582 5.981 12.255 1.00 2.73 C ATOM 1016 OE1 GLU A 66 73.100 5.137 12.969 1.00 3.12 O ATOM 1017 OE2 GLU A 66 73.206 6.825 11.634 1.00 3.39 O ATOM 0 H GLU A 66 69.420 4.473 11.109 1.00 1.15 H new ATOM 0 HA GLU A 66 68.467 4.480 13.878 1.00 1.37 H new ATOM 0 HB2 GLU A 66 70.786 5.348 14.183 1.00 1.74 H new ATOM 0 HB3 GLU A 66 70.823 4.028 13.030 1.00 1.74 H new ATOM 0 HG2 GLU A 66 70.761 5.658 11.136 1.00 1.95 H new ATOM 0 HG3 GLU A 66 70.671 6.991 12.270 1.00 1.95 H new ATOM 1024 N ASP A 67 68.052 7.153 12.193 1.00 1.42 N ATOM 1025 CA ASP A 67 67.543 8.552 12.299 1.00 1.67 C ATOM 1026 C ASP A 67 66.044 8.551 12.609 1.00 1.70 C ATOM 1027 O ASP A 67 65.440 9.587 12.804 1.00 2.12 O ATOM 1028 CB ASP A 67 67.810 9.174 10.928 1.00 2.50 C ATOM 1029 CG ASP A 67 66.905 8.520 9.883 1.00 3.17 C ATOM 1030 OD1 ASP A 67 66.447 7.417 10.132 1.00 3.45 O ATOM 1031 OD2 ASP A 67 66.686 9.132 8.851 1.00 3.83 O ATOM 0 H ASP A 67 68.080 6.770 11.248 1.00 1.42 H new ATOM 0 HA ASP A 67 68.029 9.108 13.101 1.00 1.67 H new ATOM 0 HB2 ASP A 67 67.626 10.248 10.962 1.00 2.50 H new ATOM 0 HB3 ASP A 67 68.856 9.039 10.654 1.00 2.50 H new ATOM 1036 N GLY A 68 65.440 7.395 12.658 1.00 1.77 N ATOM 1037 CA GLY A 68 63.982 7.328 12.958 1.00 2.43 C ATOM 1038 C GLY A 68 63.238 8.378 12.130 1.00 2.01 C ATOM 1039 O GLY A 68 62.219 8.897 12.541 1.00 2.65 O ATOM 0 H GLY A 68 65.893 6.494 12.503 1.00 1.77 H new ATOM 0 HA2 GLY A 68 63.599 6.333 12.731 1.00 2.43 H new ATOM 0 HA3 GLY A 68 63.811 7.500 14.021 1.00 2.43 H new ATOM 1043 N SER A 69 63.735 8.694 10.966 1.00 1.59 N ATOM 1044 CA SER A 69 63.051 9.709 10.117 1.00 1.99 C ATOM 1045 C SER A 69 61.802 9.101 9.475 1.00 1.42 C ATOM 1046 O SER A 69 60.879 9.798 9.106 1.00 1.97 O ATOM 1047 CB SER A 69 64.071 10.089 9.047 1.00 2.89 C ATOM 1048 OG SER A 69 64.180 9.029 8.107 1.00 3.53 O ATOM 0 H SER A 69 64.584 8.294 10.567 1.00 1.59 H new ATOM 0 HA SER A 69 62.726 10.576 10.692 1.00 1.99 H new ATOM 0 HB2 SER A 69 63.764 11.006 8.545 1.00 2.89 H new ATOM 0 HB3 SER A 69 65.040 10.286 9.505 1.00 2.89 H new ATOM 0 HG SER A 69 65.107 8.712 8.078 1.00 3.53 H new ATOM 1054 N GLY A 70 61.768 7.803 9.339 1.00 1.23 N ATOM 1055 CA GLY A 70 60.580 7.149 8.720 1.00 1.51 C ATOM 1056 C GLY A 70 60.822 6.963 7.220 1.00 1.28 C ATOM 1057 O GLY A 70 60.065 6.302 6.537 1.00 1.42 O ATOM 0 H GLY A 70 62.511 7.168 9.630 1.00 1.23 H new ATOM 0 HA2 GLY A 70 60.396 6.184 9.192 1.00 1.51 H new ATOM 0 HA3 GLY A 70 59.691 7.758 8.883 1.00 1.51 H new ATOM 1061 N THR A 71 61.870 7.542 6.702 1.00 1.12 N ATOM 1062 CA THR A 71 62.158 7.398 5.246 1.00 0.98 C ATOM 1063 C THR A 71 63.579 6.868 5.036 1.00 0.88 C ATOM 1064 O THR A 71 64.431 6.990 5.895 1.00 0.92 O ATOM 1065 CB THR A 71 62.021 8.809 4.674 1.00 1.11 C ATOM 1066 OG1 THR A 71 63.142 9.589 5.066 1.00 1.83 O ATOM 1067 CG2 THR A 71 60.738 9.453 5.202 1.00 1.34 C ATOM 0 H THR A 71 62.539 8.108 7.223 1.00 1.12 H new ATOM 0 HA THR A 71 61.483 6.694 4.760 1.00 0.98 H new ATOM 0 HB THR A 71 61.977 8.758 3.586 1.00 1.11 H new ATOM 0 HG1 THR A 71 63.450 10.124 4.305 1.00 1.83 H new ATOM 0 HG21 THR A 71 60.641 10.459 4.794 1.00 1.34 H new ATOM 0 HG22 THR A 71 59.879 8.854 4.899 1.00 1.34 H new ATOM 0 HG23 THR A 71 60.778 9.505 6.290 1.00 1.34 H new ATOM 1075 N VAL A 72 63.841 6.279 3.901 1.00 0.83 N ATOM 1076 CA VAL A 72 65.205 5.740 3.638 1.00 0.76 C ATOM 1077 C VAL A 72 65.933 6.629 2.624 1.00 0.68 C ATOM 1078 O VAL A 72 65.372 7.035 1.626 1.00 0.72 O ATOM 1079 CB VAL A 72 64.979 4.340 3.061 1.00 0.79 C ATOM 1080 CG1 VAL A 72 66.269 3.528 3.179 1.00 0.87 C ATOM 1081 CG2 VAL A 72 63.865 3.635 3.840 1.00 1.02 C ATOM 0 H VAL A 72 63.169 6.148 3.145 1.00 0.83 H new ATOM 0 HA VAL A 72 65.819 5.711 4.538 1.00 0.76 H new ATOM 0 HB VAL A 72 64.692 4.424 2.013 1.00 0.79 H new ATOM 0 HG11 VAL A 72 66.110 2.531 2.769 1.00 0.87 H new ATOM 0 HG12 VAL A 72 67.064 4.026 2.625 1.00 0.87 H new ATOM 0 HG13 VAL A 72 66.554 3.448 4.228 1.00 0.87 H new ATOM 0 HG21 VAL A 72 63.706 2.639 3.427 1.00 1.02 H new ATOM 0 HG22 VAL A 72 64.151 3.552 4.889 1.00 1.02 H new ATOM 0 HG23 VAL A 72 62.944 4.212 3.760 1.00 1.02 H new ATOM 1091 N ASP A 73 67.175 6.935 2.875 1.00 0.72 N ATOM 1092 CA ASP A 73 67.935 7.798 1.928 1.00 0.76 C ATOM 1093 C ASP A 73 69.137 7.036 1.366 1.00 0.83 C ATOM 1094 O ASP A 73 69.387 5.903 1.725 1.00 1.49 O ATOM 1095 CB ASP A 73 68.397 8.991 2.764 1.00 0.98 C ATOM 1096 CG ASP A 73 69.341 8.507 3.866 1.00 1.30 C ATOM 1097 OD1 ASP A 73 69.223 7.356 4.256 1.00 1.99 O ATOM 1098 OD2 ASP A 73 70.168 9.293 4.299 1.00 1.89 O ATOM 0 H ASP A 73 67.697 6.625 3.695 1.00 0.72 H new ATOM 0 HA ASP A 73 67.331 8.108 1.075 1.00 0.76 H new ATOM 0 HB2 ASP A 73 68.904 9.718 2.130 1.00 0.98 H new ATOM 0 HB3 ASP A 73 67.537 9.496 3.203 1.00 0.98 H new ATOM 1103 N PHE A 74 69.883 7.646 0.486 1.00 0.67 N ATOM 1104 CA PHE A 74 71.067 6.951 -0.095 1.00 0.64 C ATOM 1105 C PHE A 74 71.973 6.417 1.019 1.00 0.73 C ATOM 1106 O PHE A 74 72.724 5.482 0.825 1.00 0.87 O ATOM 1107 CB PHE A 74 71.793 8.018 -0.916 1.00 0.79 C ATOM 1108 CG PHE A 74 72.562 7.354 -2.033 1.00 0.86 C ATOM 1109 CD1 PHE A 74 71.886 6.569 -2.975 1.00 1.68 C ATOM 1110 CD2 PHE A 74 73.948 7.522 -2.127 1.00 1.33 C ATOM 1111 CE1 PHE A 74 72.597 5.951 -4.010 1.00 1.78 C ATOM 1112 CE2 PHE A 74 74.660 6.905 -3.163 1.00 1.45 C ATOM 1113 CZ PHE A 74 73.984 6.120 -4.105 1.00 1.20 C ATOM 0 H PHE A 74 69.724 8.594 0.145 1.00 0.67 H new ATOM 0 HA PHE A 74 70.781 6.094 -0.705 1.00 0.64 H new ATOM 0 HB2 PHE A 74 71.075 8.728 -1.326 1.00 0.79 H new ATOM 0 HB3 PHE A 74 72.472 8.584 -0.278 1.00 0.79 H new ATOM 0 HD1 PHE A 74 70.816 6.440 -2.903 1.00 1.68 H new ATOM 0 HD2 PHE A 74 74.469 8.128 -1.400 1.00 1.33 H new ATOM 0 HE1 PHE A 74 72.076 5.344 -4.735 1.00 1.78 H new ATOM 0 HE2 PHE A 74 75.730 7.035 -3.235 1.00 1.45 H new ATOM 0 HZ PHE A 74 74.532 5.645 -4.905 1.00 1.20 H new ATOM 1123 N ASP A 75 71.909 7.000 2.184 1.00 0.94 N ATOM 1124 CA ASP A 75 72.767 6.520 3.305 1.00 1.11 C ATOM 1125 C ASP A 75 72.209 5.211 3.871 1.00 0.90 C ATOM 1126 O ASP A 75 72.909 4.224 3.986 1.00 0.94 O ATOM 1127 CB ASP A 75 72.705 7.628 4.358 1.00 1.45 C ATOM 1128 CG ASP A 75 73.220 8.936 3.755 1.00 2.16 C ATOM 1129 OD1 ASP A 75 73.147 9.077 2.546 1.00 2.78 O ATOM 1130 OD2 ASP A 75 73.676 9.776 4.514 1.00 2.66 O ATOM 0 H ASP A 75 71.301 7.787 2.409 1.00 0.94 H new ATOM 0 HA ASP A 75 73.790 6.320 2.986 1.00 1.11 H new ATOM 0 HB2 ASP A 75 71.680 7.755 4.707 1.00 1.45 H new ATOM 0 HB3 ASP A 75 73.306 7.354 5.225 1.00 1.45 H new ATOM 1135 N GLU A 76 70.952 5.195 4.225 1.00 0.81 N ATOM 1136 CA GLU A 76 70.348 3.951 4.782 1.00 0.76 C ATOM 1137 C GLU A 76 69.861 3.046 3.649 1.00 0.62 C ATOM 1138 O GLU A 76 69.846 1.836 3.769 1.00 0.61 O ATOM 1139 CB GLU A 76 69.166 4.430 5.627 1.00 0.93 C ATOM 1140 CG GLU A 76 69.677 5.283 6.790 1.00 1.09 C ATOM 1141 CD GLU A 76 68.588 6.272 7.211 1.00 1.59 C ATOM 1142 OE1 GLU A 76 68.072 6.959 6.345 1.00 2.25 O ATOM 1143 OE2 GLU A 76 68.289 6.324 8.393 1.00 1.93 O ATOM 0 H GLU A 76 70.317 5.990 4.152 1.00 0.81 H new ATOM 0 HA GLU A 76 71.062 3.372 5.367 1.00 0.76 H new ATOM 0 HB2 GLU A 76 68.478 5.010 5.012 1.00 0.93 H new ATOM 0 HB3 GLU A 76 68.608 3.574 6.008 1.00 0.93 H new ATOM 0 HG2 GLU A 76 69.950 4.645 7.631 1.00 1.09 H new ATOM 0 HG3 GLU A 76 70.577 5.821 6.493 1.00 1.09 H new ATOM 1150 N PHE A 77 69.462 3.622 2.549 1.00 0.59 N ATOM 1151 CA PHE A 77 68.973 2.795 1.410 1.00 0.57 C ATOM 1152 C PHE A 77 70.025 1.751 1.022 1.00 0.59 C ATOM 1153 O PHE A 77 69.709 0.606 0.766 1.00 0.71 O ATOM 1154 CB PHE A 77 68.755 3.784 0.266 1.00 0.62 C ATOM 1155 CG PHE A 77 68.218 3.050 -0.938 1.00 0.72 C ATOM 1156 CD1 PHE A 77 67.327 1.982 -0.767 1.00 1.51 C ATOM 1157 CD2 PHE A 77 68.610 3.434 -2.226 1.00 1.42 C ATOM 1158 CE1 PHE A 77 66.830 1.300 -1.884 1.00 1.76 C ATOM 1159 CE2 PHE A 77 68.112 2.752 -3.342 1.00 1.60 C ATOM 1160 CZ PHE A 77 67.223 1.686 -3.171 1.00 1.37 C ATOM 0 H PHE A 77 69.453 4.629 2.389 1.00 0.59 H new ATOM 0 HA PHE A 77 68.062 2.251 1.658 1.00 0.57 H new ATOM 0 HB2 PHE A 77 68.056 4.562 0.572 1.00 0.62 H new ATOM 0 HB3 PHE A 77 69.693 4.279 0.015 1.00 0.62 H new ATOM 0 HD1 PHE A 77 67.024 1.685 0.226 1.00 1.51 H new ATOM 0 HD2 PHE A 77 69.297 4.257 -2.358 1.00 1.42 H new ATOM 0 HE1 PHE A 77 66.144 0.476 -1.753 1.00 1.76 H new ATOM 0 HE2 PHE A 77 68.414 3.049 -4.335 1.00 1.60 H new ATOM 0 HZ PHE A 77 66.839 1.160 -4.033 1.00 1.37 H new ATOM 1170 N LEU A 78 71.272 2.135 0.975 1.00 0.57 N ATOM 1171 CA LEU A 78 72.336 1.159 0.603 1.00 0.62 C ATOM 1172 C LEU A 78 72.604 0.199 1.766 1.00 0.61 C ATOM 1173 O LEU A 78 72.585 -1.005 1.604 1.00 0.68 O ATOM 1174 CB LEU A 78 73.572 2.009 0.307 1.00 0.66 C ATOM 1175 CG LEU A 78 73.588 2.388 -1.175 1.00 0.73 C ATOM 1176 CD1 LEU A 78 74.876 3.147 -1.498 1.00 1.10 C ATOM 1177 CD2 LEU A 78 73.518 1.117 -2.026 1.00 1.34 C ATOM 0 H LEU A 78 71.599 3.080 1.177 1.00 0.57 H new ATOM 0 HA LEU A 78 72.053 0.546 -0.253 1.00 0.62 H new ATOM 0 HB2 LEU A 78 73.564 2.908 0.923 1.00 0.66 H new ATOM 0 HB3 LEU A 78 74.476 1.456 0.562 1.00 0.66 H new ATOM 0 HG LEU A 78 72.730 3.023 -1.395 1.00 0.73 H new ATOM 0 HD11 LEU A 78 74.885 3.416 -2.554 1.00 1.10 H new ATOM 0 HD12 LEU A 78 74.926 4.052 -0.893 1.00 1.10 H new ATOM 0 HD13 LEU A 78 75.736 2.515 -1.277 1.00 1.10 H new ATOM 0 HD21 LEU A 78 73.529 1.385 -3.082 1.00 1.34 H new ATOM 0 HD22 LEU A 78 74.376 0.483 -1.804 1.00 1.34 H new ATOM 0 HD23 LEU A 78 72.599 0.577 -1.799 1.00 1.34 H new ATOM 1189 N VAL A 79 72.848 0.718 2.939 1.00 0.64 N ATOM 1190 CA VAL A 79 73.108 -0.174 4.106 1.00 0.68 C ATOM 1191 C VAL A 79 72.036 -1.264 4.170 1.00 0.78 C ATOM 1192 O VAL A 79 72.269 -2.352 4.657 1.00 0.92 O ATOM 1193 CB VAL A 79 73.024 0.731 5.336 1.00 0.73 C ATOM 1194 CG1 VAL A 79 73.365 -0.078 6.589 1.00 1.15 C ATOM 1195 CG2 VAL A 79 74.022 1.883 5.192 1.00 0.91 C ATOM 0 H VAL A 79 72.879 1.718 3.140 1.00 0.64 H new ATOM 0 HA VAL A 79 74.076 -0.671 4.040 1.00 0.68 H new ATOM 0 HB VAL A 79 72.014 1.131 5.422 1.00 0.73 H new ATOM 0 HG11 VAL A 79 73.305 0.567 7.466 1.00 1.15 H new ATOM 0 HG12 VAL A 79 72.658 -0.901 6.695 1.00 1.15 H new ATOM 0 HG13 VAL A 79 74.375 -0.477 6.500 1.00 1.15 H new ATOM 0 HG21 VAL A 79 73.962 2.528 6.069 1.00 0.91 H new ATOM 0 HG22 VAL A 79 75.032 1.481 5.105 1.00 0.91 H new ATOM 0 HG23 VAL A 79 73.784 2.461 4.299 1.00 0.91 H new ATOM 1205 N MET A 80 70.863 -0.979 3.673 1.00 0.82 N ATOM 1206 CA MET A 80 69.777 -1.998 3.696 1.00 0.93 C ATOM 1207 C MET A 80 70.073 -3.091 2.669 1.00 0.92 C ATOM 1208 O MET A 80 70.041 -4.267 2.972 1.00 0.99 O ATOM 1209 CB MET A 80 68.509 -1.235 3.314 1.00 1.04 C ATOM 1210 CG MET A 80 67.523 -1.260 4.483 1.00 1.05 C ATOM 1211 SD MET A 80 66.466 0.206 4.412 1.00 1.64 S ATOM 1212 CE MET A 80 65.355 -0.381 3.110 1.00 1.27 C ATOM 0 H MET A 80 70.611 -0.085 3.252 1.00 0.82 H new ATOM 0 HA MET A 80 69.680 -2.483 4.667 1.00 0.93 H new ATOM 0 HB2 MET A 80 68.756 -0.205 3.056 1.00 1.04 H new ATOM 0 HB3 MET A 80 68.054 -1.685 2.432 1.00 1.04 H new ATOM 0 HG2 MET A 80 66.914 -2.163 4.440 1.00 1.05 H new ATOM 0 HG3 MET A 80 68.064 -1.286 5.429 1.00 1.05 H new ATOM 0 HE1 MET A 80 64.574 0.359 2.937 1.00 1.27 H new ATOM 0 HE2 MET A 80 65.920 -0.533 2.191 1.00 1.27 H new ATOM 0 HE3 MET A 80 64.901 -1.323 3.417 1.00 1.27 H new ATOM 1222 N MET A 81 70.371 -2.710 1.458 1.00 0.86 N ATOM 1223 CA MET A 81 70.680 -3.724 0.412 1.00 0.88 C ATOM 1224 C MET A 81 71.840 -4.609 0.876 1.00 0.90 C ATOM 1225 O MET A 81 71.727 -5.817 0.937 1.00 1.04 O ATOM 1226 CB MET A 81 71.081 -2.910 -0.819 1.00 0.86 C ATOM 1227 CG MET A 81 69.904 -2.038 -1.262 1.00 0.97 C ATOM 1228 SD MET A 81 68.473 -3.090 -1.611 1.00 1.31 S ATOM 1229 CE MET A 81 67.415 -1.805 -2.324 1.00 0.93 C ATOM 0 H MET A 81 70.414 -1.739 1.147 1.00 0.86 H new ATOM 0 HA MET A 81 69.837 -4.383 0.204 1.00 0.88 H new ATOM 0 HB2 MET A 81 71.944 -2.285 -0.589 1.00 0.86 H new ATOM 0 HB3 MET A 81 71.377 -3.577 -1.628 1.00 0.86 H new ATOM 0 HG2 MET A 81 69.658 -1.317 -0.482 1.00 0.97 H new ATOM 0 HG3 MET A 81 70.174 -1.467 -2.150 1.00 0.97 H new ATOM 0 HE1 MET A 81 66.593 -1.591 -1.642 1.00 0.93 H new ATOM 0 HE2 MET A 81 68.000 -0.899 -2.483 1.00 0.93 H new ATOM 0 HE3 MET A 81 67.015 -2.151 -3.277 1.00 0.93 H new ATOM 1239 N VAL A 82 72.952 -4.014 1.212 1.00 0.81 N ATOM 1240 CA VAL A 82 74.114 -4.818 1.682 1.00 0.87 C ATOM 1241 C VAL A 82 73.672 -5.769 2.797 1.00 0.93 C ATOM 1242 O VAL A 82 74.182 -6.863 2.934 1.00 1.06 O ATOM 1243 CB VAL A 82 75.114 -3.790 2.213 1.00 0.86 C ATOM 1244 CG1 VAL A 82 74.453 -2.954 3.309 1.00 1.12 C ATOM 1245 CG2 VAL A 82 76.330 -4.512 2.793 1.00 1.38 C ATOM 0 H VAL A 82 73.105 -3.006 1.181 1.00 0.81 H new ATOM 0 HA VAL A 82 74.546 -5.432 0.892 1.00 0.87 H new ATOM 0 HB VAL A 82 75.430 -3.139 1.398 1.00 0.86 H new ATOM 0 HG11 VAL A 82 75.166 -2.221 3.687 1.00 1.12 H new ATOM 0 HG12 VAL A 82 73.585 -2.438 2.899 1.00 1.12 H new ATOM 0 HG13 VAL A 82 74.136 -3.606 4.123 1.00 1.12 H new ATOM 0 HG21 VAL A 82 77.042 -3.779 3.171 1.00 1.38 H new ATOM 0 HG22 VAL A 82 76.012 -5.163 3.607 1.00 1.38 H new ATOM 0 HG23 VAL A 82 76.804 -5.110 2.014 1.00 1.38 H new ATOM 1255 N ARG A 83 72.722 -5.358 3.593 1.00 0.92 N ATOM 1256 CA ARG A 83 72.240 -6.236 4.698 1.00 1.06 C ATOM 1257 C ARG A 83 71.371 -7.361 4.132 1.00 1.17 C ATOM 1258 O ARG A 83 71.190 -8.391 4.750 1.00 1.35 O ATOM 1259 CB ARG A 83 71.409 -5.319 5.595 1.00 1.12 C ATOM 1260 CG ARG A 83 72.309 -4.702 6.663 1.00 1.21 C ATOM 1261 CD ARG A 83 71.500 -3.709 7.501 1.00 1.42 C ATOM 1262 NE ARG A 83 71.867 -4.011 8.911 1.00 1.54 N ATOM 1263 CZ ARG A 83 71.833 -3.068 9.812 1.00 1.90 C ATOM 1264 NH1 ARG A 83 72.818 -2.215 9.901 1.00 2.73 N ATOM 1265 NH2 ARG A 83 70.815 -2.978 10.624 1.00 1.93 N ATOM 0 H ARG A 83 72.259 -4.452 3.526 1.00 0.92 H new ATOM 0 HA ARG A 83 73.059 -6.707 5.242 1.00 1.06 H new ATOM 0 HB2 ARG A 83 70.943 -4.534 4.999 1.00 1.12 H new ATOM 0 HB3 ARG A 83 70.604 -5.884 6.065 1.00 1.12 H new ATOM 0 HG2 ARG A 83 72.721 -5.483 7.302 1.00 1.21 H new ATOM 0 HG3 ARG A 83 73.153 -4.196 6.194 1.00 1.21 H new ATOM 0 HD2 ARG A 83 71.746 -2.680 7.240 1.00 1.42 H new ATOM 0 HD3 ARG A 83 70.430 -3.833 7.336 1.00 1.42 H new ATOM 0 HE ARG A 83 72.146 -4.956 9.174 1.00 1.54 H new ATOM 0 HH11 ARG A 83 73.613 -2.286 9.266 1.00 2.73 H new ATOM 0 HH12 ARG A 83 72.792 -1.478 10.605 1.00 2.73 H new ATOM 0 HH21 ARG A 83 70.046 -3.645 10.554 1.00 1.93 H new ATOM 0 HH22 ARG A 83 70.788 -2.241 11.328 1.00 1.93 H new ATOM 1279 N CYS A 84 70.829 -7.166 2.963 1.00 1.21 N ATOM 1280 CA CYS A 84 69.965 -8.218 2.353 1.00 1.46 C ATOM 1281 C CYS A 84 70.783 -9.109 1.414 1.00 1.52 C ATOM 1282 O CYS A 84 70.423 -10.238 1.148 1.00 1.97 O ATOM 1283 CB CYS A 84 68.904 -7.446 1.568 1.00 1.72 C ATOM 1284 SG CYS A 84 67.307 -8.284 1.724 1.00 2.58 S ATOM 0 H CYS A 84 70.946 -6.323 2.402 1.00 1.21 H new ATOM 0 HA CYS A 84 69.526 -8.875 3.104 1.00 1.46 H new ATOM 0 HB2 CYS A 84 68.829 -6.426 1.944 1.00 1.72 H new ATOM 0 HB3 CYS A 84 69.190 -7.379 0.518 1.00 1.72 H new ATOM 0 HG CYS A 84 66.405 -7.626 1.058 1.00 2.58 H new ATOM 1290 N MET A 85 71.878 -8.613 0.906 1.00 1.31 N ATOM 1291 CA MET A 85 72.709 -9.437 -0.019 1.00 1.51 C ATOM 1292 C MET A 85 73.969 -9.936 0.695 1.00 1.66 C ATOM 1293 O MET A 85 74.969 -10.234 0.073 1.00 2.46 O ATOM 1294 CB MET A 85 73.077 -8.496 -1.167 1.00 1.47 C ATOM 1295 CG MET A 85 74.048 -7.429 -0.661 1.00 1.57 C ATOM 1296 SD MET A 85 74.633 -6.436 -2.056 1.00 1.89 S ATOM 1297 CE MET A 85 73.238 -5.285 -2.119 1.00 1.57 C ATOM 0 H MET A 85 72.233 -7.675 1.091 1.00 1.31 H new ATOM 0 HA MET A 85 72.178 -10.321 -0.371 1.00 1.51 H new ATOM 0 HB2 MET A 85 73.532 -9.060 -1.982 1.00 1.47 H new ATOM 0 HB3 MET A 85 72.179 -8.025 -1.567 1.00 1.47 H new ATOM 0 HG2 MET A 85 73.554 -6.791 0.072 1.00 1.57 H new ATOM 0 HG3 MET A 85 74.892 -7.900 -0.157 1.00 1.57 H new ATOM 0 HE1 MET A 85 73.023 -5.030 -3.157 1.00 1.57 H new ATOM 0 HE2 MET A 85 72.361 -5.752 -1.671 1.00 1.57 H new ATOM 0 HE3 MET A 85 73.489 -4.379 -1.567 1.00 1.57 H new