USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=18 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 45 MET CE :methyl 159:sc= -4.34 (180deg=-4.4!) USER MOD Set 1.2: A 50 GLN : amide:sc= 0 K(o=-11,f=-13) USER MOD Set 1.3: A 81 MET CE :methyl 140:sc= -6.5! (180deg=-8.3!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.682 K(o=-0.68,f=-1.4) USER MOD Single : A 13 THR OG1 : rot -159:sc= -0.89 USER MOD Single : A 16 GLN : amide:sc= -1.15 K(o=-1.1,f=-4.7!) USER MOD Single : A 17 LYS NZ :NH3+ -143:sc= -0.21 (180deg=-0.324) USER MOD Single : A 18 ASN : amide:sc= -0.266 K(o=-0.27,f=-1.1!) USER MOD Single : A 21 LYS NZ :NH3+ 152:sc= -0.0779 (180deg=-0.706) USER MOD Single : A 35 CYS SG : rot 135:sc= -0.66! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -130:sc= -1.29 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 136:sc= 0.473 (180deg=0.00821) USER MOD Single : A 47 MET CE :methyl -165:sc= 0 (180deg=-0.151) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0.08) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.54! USER MOD Single : A 58 GLN : amide:sc= -2.31! C(o=-2.3!,f=-4.5!) USER MOD Single : A 60 MET CE :methyl -146:sc= -0.269 (180deg=-0.761) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0533 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0564 USER MOD Single : A 80 MET CE :methyl -141:sc= -0.242 (180deg=-1.29) USER MOD Single : A 84 CYS SG : rot -36:sc= 0.2 USER MOD Single : A 85 MET CE :methyl -139:sc= -1.51 (180deg=-3.28!) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR A 5 78.872 -2.827 8.935 1.00 1.29 N ATOM 64 CA TYR A 5 77.870 -2.696 7.840 1.00 1.15 C ATOM 65 C TYR A 5 78.282 -1.577 6.881 1.00 1.04 C ATOM 66 O TYR A 5 78.416 -1.785 5.692 1.00 1.02 O ATOM 67 CB TYR A 5 76.557 -2.349 8.544 1.00 1.16 C ATOM 68 CG TYR A 5 75.848 -3.624 8.933 1.00 1.39 C ATOM 69 CD1 TYR A 5 76.115 -4.227 10.167 1.00 1.97 C ATOM 70 CD2 TYR A 5 74.924 -4.205 8.055 1.00 1.89 C ATOM 71 CE1 TYR A 5 75.460 -5.412 10.524 1.00 2.21 C ATOM 72 CE2 TYR A 5 74.269 -5.389 8.412 1.00 2.12 C ATOM 73 CZ TYR A 5 74.536 -5.993 9.647 1.00 1.97 C ATOM 74 OH TYR A 5 73.891 -7.161 9.998 1.00 2.28 O ATOM 0 HA TYR A 5 77.783 -3.606 7.246 1.00 1.15 H new ATOM 0 HB2 TYR A 5 76.754 -1.744 9.429 1.00 1.16 H new ATOM 0 HB3 TYR A 5 75.924 -1.754 7.886 1.00 1.16 H new ATOM 0 HD1 TYR A 5 76.827 -3.778 10.844 1.00 1.97 H new ATOM 0 HD2 TYR A 5 74.717 -3.739 7.103 1.00 1.89 H new ATOM 0 HE1 TYR A 5 75.668 -5.878 11.476 1.00 2.21 H new ATOM 0 HE2 TYR A 5 73.557 -5.837 7.735 1.00 2.12 H new ATOM 0 HH TYR A 5 73.283 -7.428 9.277 1.00 2.28 H new ATOM 84 N LYS A 6 78.492 -0.393 7.389 1.00 1.08 N ATOM 85 CA LYS A 6 78.903 0.731 6.499 1.00 1.15 C ATOM 86 C LYS A 6 80.065 0.285 5.609 1.00 1.34 C ATOM 87 O LYS A 6 80.287 0.825 4.543 1.00 1.48 O ATOM 88 CB LYS A 6 79.346 1.848 7.446 1.00 1.28 C ATOM 89 CG LYS A 6 80.616 1.420 8.184 1.00 1.93 C ATOM 90 CD LYS A 6 81.788 2.297 7.738 1.00 2.17 C ATOM 91 CE LYS A 6 83.106 1.584 8.047 1.00 3.13 C ATOM 92 NZ LYS A 6 83.473 2.031 9.420 1.00 3.45 N ATOM 0 H LYS A 6 78.397 -0.156 8.376 1.00 1.08 H new ATOM 0 HA LYS A 6 78.099 1.058 5.840 1.00 1.15 H new ATOM 0 HB2 LYS A 6 79.531 2.763 6.884 1.00 1.28 H new ATOM 0 HB3 LYS A 6 78.554 2.068 8.162 1.00 1.28 H new ATOM 0 HG2 LYS A 6 80.471 1.509 9.261 1.00 1.93 H new ATOM 0 HG3 LYS A 6 80.833 0.372 7.977 1.00 1.93 H new ATOM 0 HD2 LYS A 6 81.716 2.503 6.670 1.00 2.17 H new ATOM 0 HD3 LYS A 6 81.753 3.258 8.252 1.00 2.17 H new ATOM 0 HE2 LYS A 6 82.989 0.501 8.002 1.00 3.13 H new ATOM 0 HE3 LYS A 6 83.878 1.851 7.325 1.00 3.13 H new ATOM 0 HZ1 LYS A 6 84.368 1.584 9.703 1.00 3.45 H new ATOM 0 HZ2 LYS A 6 83.584 3.065 9.430 1.00 3.45 H new ATOM 0 HZ3 LYS A 6 82.723 1.757 10.086 1.00 3.45 H new ATOM 106 N ALA A 7 80.805 -0.701 6.040 1.00 1.45 N ATOM 107 CA ALA A 7 81.951 -1.191 5.222 1.00 1.74 C ATOM 108 C ALA A 7 81.448 -2.145 4.139 1.00 1.74 C ATOM 109 O ALA A 7 82.024 -2.252 3.075 1.00 1.92 O ATOM 110 CB ALA A 7 82.855 -1.927 6.212 1.00 1.95 C ATOM 0 H ALA A 7 80.665 -1.189 6.925 1.00 1.45 H new ATOM 0 HA ALA A 7 82.478 -0.383 4.715 1.00 1.74 H new ATOM 0 HB1 ALA A 7 83.726 -2.320 5.687 1.00 1.95 H new ATOM 0 HB2 ALA A 7 83.181 -1.236 6.990 1.00 1.95 H new ATOM 0 HB3 ALA A 7 82.303 -2.750 6.666 1.00 1.95 H new ATOM 116 N ALA A 8 80.371 -2.836 4.400 1.00 1.60 N ATOM 117 CA ALA A 8 79.824 -3.779 3.384 1.00 1.68 C ATOM 118 C ALA A 8 79.330 -2.998 2.166 1.00 1.49 C ATOM 119 O ALA A 8 79.402 -3.459 1.044 1.00 1.62 O ATOM 120 CB ALA A 8 78.658 -4.481 4.079 1.00 1.71 C ATOM 0 H ALA A 8 79.847 -2.788 5.274 1.00 1.60 H new ATOM 0 HA ALA A 8 80.571 -4.490 3.031 1.00 1.68 H new ATOM 0 HB1 ALA A 8 78.201 -5.194 3.393 1.00 1.71 H new ATOM 0 HB2 ALA A 8 79.024 -5.008 4.960 1.00 1.71 H new ATOM 0 HB3 ALA A 8 77.916 -3.742 4.381 1.00 1.71 H new ATOM 126 N VAL A 9 78.830 -1.812 2.381 1.00 1.25 N ATOM 127 CA VAL A 9 78.333 -0.990 1.243 1.00 1.20 C ATOM 128 C VAL A 9 79.514 -0.470 0.418 1.00 1.40 C ATOM 129 O VAL A 9 79.471 -0.440 -0.796 1.00 1.41 O ATOM 130 CB VAL A 9 77.579 0.170 1.895 1.00 1.13 C ATOM 131 CG1 VAL A 9 77.048 1.109 0.811 1.00 1.83 C ATOM 132 CG2 VAL A 9 76.408 -0.380 2.712 1.00 1.52 C ATOM 0 H VAL A 9 78.744 -1.376 3.299 1.00 1.25 H new ATOM 0 HA VAL A 9 77.696 -1.558 0.565 1.00 1.20 H new ATOM 0 HB VAL A 9 78.255 0.719 2.551 1.00 1.13 H new ATOM 0 HG11 VAL A 9 76.511 1.935 1.277 1.00 1.83 H new ATOM 0 HG12 VAL A 9 77.882 1.501 0.228 1.00 1.83 H new ATOM 0 HG13 VAL A 9 76.372 0.561 0.154 1.00 1.83 H new ATOM 0 HG21 VAL A 9 75.870 0.446 3.177 1.00 1.52 H new ATOM 0 HG22 VAL A 9 75.733 -0.930 2.056 1.00 1.52 H new ATOM 0 HG23 VAL A 9 76.786 -1.048 3.486 1.00 1.52 H new ATOM 142 N GLU A 10 80.569 -0.064 1.070 1.00 1.64 N ATOM 143 CA GLU A 10 81.754 0.450 0.325 1.00 1.94 C ATOM 144 C GLU A 10 82.429 -0.691 -0.439 1.00 1.97 C ATOM 145 O GLU A 10 83.074 -0.481 -1.447 1.00 2.19 O ATOM 146 CB GLU A 10 82.689 1.007 1.400 1.00 2.23 C ATOM 147 CG GLU A 10 83.185 2.389 0.975 1.00 2.75 C ATOM 148 CD GLU A 10 84.082 2.972 2.070 1.00 3.11 C ATOM 149 OE1 GLU A 10 83.582 3.197 3.160 1.00 3.61 O ATOM 150 OE2 GLU A 10 85.252 3.183 1.798 1.00 3.35 O ATOM 0 H GLU A 10 80.662 -0.066 2.086 1.00 1.64 H new ATOM 0 HA GLU A 10 81.485 1.209 -0.410 1.00 1.94 H new ATOM 0 HB2 GLU A 10 82.166 1.074 2.354 1.00 2.23 H new ATOM 0 HB3 GLU A 10 83.534 0.334 1.547 1.00 2.23 H new ATOM 0 HG2 GLU A 10 83.738 2.316 0.039 1.00 2.75 H new ATOM 0 HG3 GLU A 10 82.338 3.051 0.794 1.00 2.75 H new ATOM 157 N GLN A 11 82.284 -1.899 0.034 1.00 1.87 N ATOM 158 CA GLN A 11 82.914 -3.053 -0.665 1.00 2.00 C ATOM 159 C GLN A 11 82.394 -3.145 -2.102 1.00 1.46 C ATOM 160 O GLN A 11 82.971 -3.808 -2.941 1.00 1.69 O ATOM 161 CB GLN A 11 82.489 -4.282 0.138 1.00 2.54 C ATOM 162 CG GLN A 11 83.695 -4.843 0.893 1.00 3.27 C ATOM 163 CD GLN A 11 83.343 -5.006 2.372 1.00 3.83 C ATOM 164 OE1 GLN A 11 82.473 -5.780 2.719 1.00 4.41 O ATOM 165 NE2 GLN A 11 83.986 -4.304 3.265 1.00 3.95 N ATOM 0 H GLN A 11 81.756 -2.136 0.874 1.00 1.87 H new ATOM 0 HA GLN A 11 83.998 -2.960 -0.724 1.00 2.00 H new ATOM 0 HB2 GLN A 11 81.699 -4.015 0.840 1.00 2.54 H new ATOM 0 HB3 GLN A 11 82.079 -5.041 -0.529 1.00 2.54 H new ATOM 0 HG2 GLN A 11 83.987 -5.804 0.470 1.00 3.27 H new ATOM 0 HG3 GLN A 11 84.549 -4.174 0.783 1.00 3.27 H new ATOM 0 HE21 GLN A 11 84.716 -3.654 2.974 1.00 3.95 H new ATOM 0 HE22 GLN A 11 83.758 -4.405 4.254 1.00 3.95 H new ATOM 174 N LEU A 12 81.305 -2.485 -2.388 1.00 1.14 N ATOM 175 CA LEU A 12 80.747 -2.533 -3.769 1.00 1.23 C ATOM 176 C LEU A 12 81.679 -1.804 -4.740 1.00 1.75 C ATOM 177 O LEU A 12 82.837 -1.576 -4.451 1.00 2.52 O ATOM 178 CB LEU A 12 79.399 -1.818 -3.675 1.00 1.10 C ATOM 179 CG LEU A 12 78.534 -2.499 -2.612 1.00 1.16 C ATOM 180 CD1 LEU A 12 77.313 -1.628 -2.311 1.00 1.74 C ATOM 181 CD2 LEU A 12 78.070 -3.862 -3.130 1.00 1.62 C ATOM 0 H LEU A 12 80.778 -1.915 -1.726 1.00 1.14 H new ATOM 0 HA LEU A 12 80.641 -3.553 -4.139 1.00 1.23 H new ATOM 0 HB2 LEU A 12 79.549 -0.769 -3.420 1.00 1.10 H new ATOM 0 HB3 LEU A 12 78.894 -1.843 -4.641 1.00 1.10 H new ATOM 0 HG LEU A 12 79.118 -2.634 -1.701 1.00 1.16 H new ATOM 0 HD11 LEU A 12 76.697 -2.114 -1.554 1.00 1.74 H new ATOM 0 HD12 LEU A 12 77.641 -0.656 -1.943 1.00 1.74 H new ATOM 0 HD13 LEU A 12 76.729 -1.493 -3.221 1.00 1.74 H new ATOM 0 HD21 LEU A 12 77.454 -4.348 -2.374 1.00 1.62 H new ATOM 0 HD22 LEU A 12 77.487 -3.726 -4.041 1.00 1.62 H new ATOM 0 HD23 LEU A 12 78.939 -4.484 -3.345 1.00 1.62 H new ATOM 193 N THR A 13 81.184 -1.438 -5.890 1.00 1.74 N ATOM 194 CA THR A 13 82.043 -0.725 -6.877 1.00 2.37 C ATOM 195 C THR A 13 81.374 0.583 -7.310 1.00 2.28 C ATOM 196 O THR A 13 80.176 0.747 -7.190 1.00 1.84 O ATOM 197 CB THR A 13 82.161 -1.684 -8.063 1.00 2.87 C ATOM 198 OG1 THR A 13 80.927 -2.365 -8.243 1.00 2.80 O ATOM 199 CG2 THR A 13 83.272 -2.700 -7.791 1.00 3.47 C ATOM 0 H THR A 13 80.223 -1.602 -6.189 1.00 1.74 H new ATOM 0 HA THR A 13 83.018 -0.463 -6.465 1.00 2.37 H new ATOM 0 HB THR A 13 82.400 -1.120 -8.965 1.00 2.87 H new ATOM 0 HG1 THR A 13 81.079 -3.188 -8.752 1.00 2.80 H new ATOM 0 HG21 THR A 13 83.355 -3.383 -8.636 1.00 3.47 H new ATOM 0 HG22 THR A 13 84.218 -2.176 -7.653 1.00 3.47 H new ATOM 0 HG23 THR A 13 83.035 -3.266 -6.890 1.00 3.47 H new ATOM 207 N GLU A 14 82.136 1.514 -7.811 1.00 2.79 N ATOM 208 CA GLU A 14 81.538 2.807 -8.251 1.00 2.85 C ATOM 209 C GLU A 14 80.384 2.546 -9.221 1.00 2.54 C ATOM 210 O GLU A 14 79.374 3.222 -9.195 1.00 2.21 O ATOM 211 CB GLU A 14 82.675 3.552 -8.950 1.00 3.57 C ATOM 212 CG GLU A 14 83.273 4.585 -7.992 1.00 3.91 C ATOM 213 CD GLU A 14 83.609 3.912 -6.660 1.00 4.24 C ATOM 214 OE1 GLU A 14 84.624 3.238 -6.598 1.00 4.48 O ATOM 215 OE2 GLU A 14 82.845 4.083 -5.724 1.00 4.66 O ATOM 0 H GLU A 14 83.145 1.437 -7.935 1.00 2.79 H new ATOM 0 HA GLU A 14 81.130 3.382 -7.420 1.00 2.85 H new ATOM 0 HB2 GLU A 14 83.444 2.848 -9.269 1.00 3.57 H new ATOM 0 HB3 GLU A 14 82.303 4.045 -9.848 1.00 3.57 H new ATOM 0 HG2 GLU A 14 84.171 5.023 -8.427 1.00 3.91 H new ATOM 0 HG3 GLU A 14 82.567 5.400 -7.832 1.00 3.91 H new ATOM 222 N GLU A 15 80.523 1.570 -10.076 1.00 2.73 N ATOM 223 CA GLU A 15 79.430 1.267 -11.044 1.00 2.59 C ATOM 224 C GLU A 15 78.179 0.796 -10.296 1.00 2.19 C ATOM 225 O GLU A 15 77.076 0.881 -10.799 1.00 2.08 O ATOM 226 CB GLU A 15 79.981 0.148 -11.930 1.00 3.01 C ATOM 227 CG GLU A 15 80.405 -1.036 -11.058 1.00 3.67 C ATOM 228 CD GLU A 15 79.261 -2.050 -10.983 1.00 4.32 C ATOM 229 OE1 GLU A 15 78.572 -2.211 -11.976 1.00 4.51 O ATOM 230 OE2 GLU A 15 79.094 -2.647 -9.932 1.00 4.98 O ATOM 0 H GLU A 15 81.345 0.970 -10.146 1.00 2.73 H new ATOM 0 HA GLU A 15 79.141 2.141 -11.628 1.00 2.59 H new ATOM 0 HB2 GLU A 15 79.223 -0.168 -12.647 1.00 3.01 H new ATOM 0 HB3 GLU A 15 80.832 0.512 -12.506 1.00 3.01 H new ATOM 0 HG2 GLU A 15 81.296 -1.507 -11.474 1.00 3.67 H new ATOM 0 HG3 GLU A 15 80.665 -0.690 -10.058 1.00 3.67 H new ATOM 237 N GLN A 16 78.342 0.301 -9.098 1.00 2.04 N ATOM 238 CA GLN A 16 77.160 -0.172 -8.320 1.00 1.73 C ATOM 239 C GLN A 16 76.383 1.023 -7.760 1.00 1.35 C ATOM 240 O GLN A 16 75.177 1.107 -7.887 1.00 1.17 O ATOM 241 CB GLN A 16 77.744 -1.013 -7.184 1.00 1.74 C ATOM 242 CG GLN A 16 76.641 -1.342 -6.175 1.00 2.16 C ATOM 243 CD GLN A 16 75.677 -2.362 -6.784 1.00 2.30 C ATOM 244 OE1 GLN A 16 75.750 -2.654 -7.961 1.00 3.06 O ATOM 245 NE2 GLN A 16 74.770 -2.918 -6.028 1.00 2.19 N ATOM 0 H GLN A 16 79.241 0.204 -8.625 1.00 2.04 H new ATOM 0 HA GLN A 16 76.464 -0.744 -8.933 1.00 1.73 H new ATOM 0 HB2 GLN A 16 78.174 -1.932 -7.582 1.00 1.74 H new ATOM 0 HB3 GLN A 16 78.551 -0.470 -6.693 1.00 1.74 H new ATOM 0 HG2 GLN A 16 77.078 -1.741 -5.260 1.00 2.16 H new ATOM 0 HG3 GLN A 16 76.102 -0.435 -5.901 1.00 2.16 H new ATOM 0 HE21 GLN A 16 74.709 -2.672 -5.040 1.00 2.19 H new ATOM 0 HE22 GLN A 16 74.122 -3.598 -6.425 1.00 2.19 H new ATOM 254 N LYS A 17 77.064 1.951 -7.144 1.00 1.41 N ATOM 255 CA LYS A 17 76.363 3.139 -6.580 1.00 1.21 C ATOM 256 C LYS A 17 76.000 4.119 -7.700 1.00 1.08 C ATOM 257 O LYS A 17 75.080 4.903 -7.578 1.00 0.97 O ATOM 258 CB LYS A 17 77.370 3.771 -5.618 1.00 1.52 C ATOM 259 CG LYS A 17 77.368 2.998 -4.298 1.00 2.28 C ATOM 260 CD LYS A 17 78.809 2.757 -3.844 1.00 2.64 C ATOM 261 CE LYS A 17 79.189 3.788 -2.777 1.00 2.74 C ATOM 262 NZ LYS A 17 79.141 3.043 -1.487 1.00 2.91 N ATOM 0 H LYS A 17 78.075 1.938 -7.007 1.00 1.41 H new ATOM 0 HA LYS A 17 75.433 2.872 -6.079 1.00 1.21 H new ATOM 0 HB2 LYS A 17 78.367 3.758 -6.058 1.00 1.52 H new ATOM 0 HB3 LYS A 17 77.114 4.815 -5.441 1.00 1.52 H new ATOM 0 HG2 LYS A 17 76.825 3.559 -3.537 1.00 2.28 H new ATOM 0 HG3 LYS A 17 76.851 2.047 -4.423 1.00 2.28 H new ATOM 0 HD2 LYS A 17 78.911 1.749 -3.443 1.00 2.64 H new ATOM 0 HD3 LYS A 17 79.487 2.832 -4.695 1.00 2.64 H new ATOM 0 HE2 LYS A 17 80.183 4.197 -2.960 1.00 2.74 H new ATOM 0 HE3 LYS A 17 78.494 4.628 -2.774 1.00 2.74 H new ATOM 0 HZ1 LYS A 17 78.769 3.665 -0.741 1.00 2.91 H new ATOM 0 HZ2 LYS A 17 78.521 2.214 -1.588 1.00 2.91 H new ATOM 0 HZ3 LYS A 17 80.099 2.730 -1.231 1.00 2.91 H new ATOM 276 N ASN A 18 76.715 4.077 -8.790 1.00 1.19 N ATOM 277 CA ASN A 18 76.412 5.003 -9.918 1.00 1.13 C ATOM 278 C ASN A 18 75.029 4.694 -10.495 1.00 0.92 C ATOM 279 O ASN A 18 74.289 5.582 -10.870 1.00 0.77 O ATOM 280 CB ASN A 18 77.500 4.727 -10.957 1.00 1.38 C ATOM 281 CG ASN A 18 78.618 5.761 -10.815 1.00 1.81 C ATOM 282 OD1 ASN A 18 78.360 6.923 -10.573 1.00 1.98 O ATOM 283 ND2 ASN A 18 79.860 5.384 -10.956 1.00 2.51 N ATOM 0 H ASN A 18 77.497 3.441 -8.949 1.00 1.19 H new ATOM 0 HA ASN A 18 76.401 6.047 -9.606 1.00 1.13 H new ATOM 0 HB2 ASN A 18 77.900 3.722 -10.821 1.00 1.38 H new ATOM 0 HB3 ASN A 18 77.077 4.769 -11.961 1.00 1.38 H new ATOM 0 HD21 ASN A 18 80.613 6.065 -10.863 1.00 2.51 H new ATOM 0 HD22 ASN A 18 80.077 4.408 -11.159 1.00 2.51 H new ATOM 290 N GLU A 19 74.674 3.441 -10.567 1.00 1.02 N ATOM 291 CA GLU A 19 73.338 3.075 -11.119 1.00 0.98 C ATOM 292 C GLU A 19 72.260 3.248 -10.045 1.00 0.83 C ATOM 293 O GLU A 19 71.126 3.570 -10.337 1.00 0.82 O ATOM 294 CB GLU A 19 73.466 1.605 -11.522 1.00 1.25 C ATOM 295 CG GLU A 19 74.258 1.502 -12.827 1.00 1.54 C ATOM 296 CD GLU A 19 75.165 0.271 -12.781 1.00 2.01 C ATOM 297 OE1 GLU A 19 74.973 -0.550 -11.899 1.00 2.48 O ATOM 298 OE2 GLU A 19 76.037 0.170 -13.627 1.00 2.60 O ATOM 0 H GLU A 19 75.250 2.655 -10.268 1.00 1.02 H new ATOM 0 HA GLU A 19 73.050 3.704 -11.962 1.00 0.98 H new ATOM 0 HB2 GLU A 19 73.968 1.043 -10.734 1.00 1.25 H new ATOM 0 HB3 GLU A 19 72.477 1.164 -11.648 1.00 1.25 H new ATOM 0 HG2 GLU A 19 73.575 1.432 -13.674 1.00 1.54 H new ATOM 0 HG3 GLU A 19 74.856 2.402 -12.973 1.00 1.54 H new ATOM 305 N PHE A 20 72.609 3.038 -8.805 1.00 0.83 N ATOM 306 CA PHE A 20 71.607 3.194 -7.713 1.00 0.78 C ATOM 307 C PHE A 20 71.189 4.662 -7.588 1.00 0.69 C ATOM 308 O PHE A 20 70.064 4.971 -7.250 1.00 0.74 O ATOM 309 CB PHE A 20 72.328 2.728 -6.447 1.00 0.94 C ATOM 310 CG PHE A 20 72.179 1.232 -6.307 1.00 1.20 C ATOM 311 CD1 PHE A 20 72.641 0.384 -7.321 1.00 2.07 C ATOM 312 CD2 PHE A 20 71.579 0.691 -5.162 1.00 1.96 C ATOM 313 CE1 PHE A 20 72.502 -1.003 -7.191 1.00 2.93 C ATOM 314 CE2 PHE A 20 71.441 -0.696 -5.032 1.00 2.88 C ATOM 315 CZ PHE A 20 71.902 -1.543 -6.046 1.00 3.19 C ATOM 0 H PHE A 20 73.544 2.765 -8.501 1.00 0.83 H new ATOM 0 HA PHE A 20 70.698 2.621 -7.897 1.00 0.78 H new ATOM 0 HB2 PHE A 20 73.383 2.996 -6.497 1.00 0.94 H new ATOM 0 HB3 PHE A 20 71.912 3.229 -5.573 1.00 0.94 H new ATOM 0 HD1 PHE A 20 73.105 0.800 -8.203 1.00 2.07 H new ATOM 0 HD2 PHE A 20 71.223 1.344 -4.379 1.00 1.96 H new ATOM 0 HE1 PHE A 20 72.857 -1.657 -7.974 1.00 2.93 H new ATOM 0 HE2 PHE A 20 70.979 -1.112 -4.149 1.00 2.88 H new ATOM 0 HZ PHE A 20 71.795 -2.613 -5.946 1.00 3.19 H new ATOM 325 N LYS A 21 72.087 5.568 -7.862 1.00 0.73 N ATOM 326 CA LYS A 21 71.740 7.014 -7.762 1.00 0.83 C ATOM 327 C LYS A 21 70.571 7.339 -8.698 1.00 0.81 C ATOM 328 O LYS A 21 69.616 7.982 -8.313 1.00 0.97 O ATOM 329 CB LYS A 21 73.003 7.756 -8.201 1.00 1.00 C ATOM 330 CG LYS A 21 72.982 9.179 -7.636 1.00 1.37 C ATOM 331 CD LYS A 21 74.298 9.457 -6.909 1.00 1.81 C ATOM 332 CE LYS A 21 75.428 9.609 -7.931 1.00 2.52 C ATOM 333 NZ LYS A 21 75.197 10.938 -8.565 1.00 3.32 N ATOM 0 H LYS A 21 73.045 5.370 -8.151 1.00 0.73 H new ATOM 0 HA LYS A 21 71.432 7.298 -6.756 1.00 0.83 H new ATOM 0 HB2 LYS A 21 73.889 7.227 -7.850 1.00 1.00 H new ATOM 0 HB3 LYS A 21 73.060 7.786 -9.289 1.00 1.00 H new ATOM 0 HG2 LYS A 21 72.840 9.900 -8.441 1.00 1.37 H new ATOM 0 HG3 LYS A 21 72.143 9.297 -6.950 1.00 1.37 H new ATOM 0 HD2 LYS A 21 74.210 10.364 -6.311 1.00 1.81 H new ATOM 0 HD3 LYS A 21 74.524 8.643 -6.221 1.00 1.81 H new ATOM 0 HE2 LYS A 21 76.405 9.566 -7.449 1.00 2.52 H new ATOM 0 HE3 LYS A 21 75.402 8.809 -8.671 1.00 2.52 H new ATOM 0 HZ1 LYS A 21 76.104 11.329 -8.892 1.00 3.32 H new ATOM 0 HZ2 LYS A 21 74.555 10.829 -9.376 1.00 3.32 H new ATOM 0 HZ3 LYS A 21 74.771 11.585 -7.871 1.00 3.32 H new ATOM 347 N ALA A 22 70.641 6.896 -9.924 1.00 0.78 N ATOM 348 CA ALA A 22 69.532 7.178 -10.883 1.00 0.87 C ATOM 349 C ALA A 22 68.220 6.583 -10.363 1.00 0.81 C ATOM 350 O ALA A 22 67.211 7.254 -10.290 1.00 0.83 O ATOM 351 CB ALA A 22 69.951 6.499 -12.187 1.00 0.97 C ATOM 0 H ALA A 22 71.416 6.352 -10.303 1.00 0.78 H new ATOM 0 HA ALA A 22 69.364 8.247 -11.018 1.00 0.87 H new ATOM 0 HB1 ALA A 22 69.184 6.661 -12.945 1.00 0.97 H new ATOM 0 HB2 ALA A 22 70.895 6.922 -12.530 1.00 0.97 H new ATOM 0 HB3 ALA A 22 70.073 5.429 -12.017 1.00 0.97 H new ATOM 357 N ALA A 23 68.226 5.330 -9.997 1.00 0.80 N ATOM 358 CA ALA A 23 66.979 4.700 -9.478 1.00 0.81 C ATOM 359 C ALA A 23 66.559 5.376 -8.170 1.00 0.74 C ATOM 360 O ALA A 23 65.392 5.605 -7.925 1.00 0.77 O ATOM 361 CB ALA A 23 67.345 3.236 -9.233 1.00 0.89 C ATOM 0 H ALA A 23 69.040 4.716 -10.035 1.00 0.80 H new ATOM 0 HA ALA A 23 66.144 4.797 -10.172 1.00 0.81 H new ATOM 0 HB1 ALA A 23 66.475 2.703 -8.848 1.00 0.89 H new ATOM 0 HB2 ALA A 23 67.666 2.779 -10.169 1.00 0.89 H new ATOM 0 HB3 ALA A 23 68.155 3.180 -8.506 1.00 0.89 H new ATOM 367 N PHE A 24 67.504 5.701 -7.331 1.00 0.71 N ATOM 368 CA PHE A 24 67.161 6.366 -6.043 1.00 0.72 C ATOM 369 C PHE A 24 66.230 7.554 -6.300 1.00 0.71 C ATOM 370 O PHE A 24 65.237 7.736 -5.624 1.00 0.73 O ATOM 371 CB PHE A 24 68.498 6.842 -5.475 1.00 0.82 C ATOM 372 CG PHE A 24 68.248 7.840 -4.369 1.00 1.04 C ATOM 373 CD1 PHE A 24 68.089 9.197 -4.673 1.00 1.81 C ATOM 374 CD2 PHE A 24 68.175 7.406 -3.041 1.00 1.51 C ATOM 375 CE1 PHE A 24 67.857 10.121 -3.647 1.00 2.09 C ATOM 376 CE2 PHE A 24 67.942 8.330 -2.015 1.00 1.88 C ATOM 377 CZ PHE A 24 67.784 9.688 -2.318 1.00 1.85 C ATOM 0 H PHE A 24 68.499 5.535 -7.482 1.00 0.71 H new ATOM 0 HA PHE A 24 66.643 5.698 -5.354 1.00 0.72 H new ATOM 0 HB2 PHE A 24 69.066 5.994 -5.093 1.00 0.82 H new ATOM 0 HB3 PHE A 24 69.098 7.298 -6.262 1.00 0.82 H new ATOM 0 HD1 PHE A 24 68.145 9.531 -5.698 1.00 1.81 H new ATOM 0 HD2 PHE A 24 68.298 6.359 -2.807 1.00 1.51 H new ATOM 0 HE1 PHE A 24 67.734 11.168 -3.881 1.00 2.09 H new ATOM 0 HE2 PHE A 24 67.884 7.995 -0.990 1.00 1.88 H new ATOM 0 HZ PHE A 24 67.606 10.401 -1.527 1.00 1.85 H new ATOM 387 N ASP A 25 66.544 8.364 -7.275 1.00 0.81 N ATOM 388 CA ASP A 25 65.674 9.537 -7.575 1.00 0.97 C ATOM 389 C ASP A 25 64.298 9.061 -8.046 1.00 1.04 C ATOM 390 O ASP A 25 63.354 9.822 -8.108 1.00 1.23 O ATOM 391 CB ASP A 25 66.392 10.286 -8.698 1.00 1.18 C ATOM 392 CG ASP A 25 67.202 11.441 -8.104 1.00 1.57 C ATOM 393 OD1 ASP A 25 68.324 11.200 -7.691 1.00 2.18 O ATOM 394 OD2 ASP A 25 66.684 12.545 -8.072 1.00 1.98 O ATOM 0 H ASP A 25 67.363 8.265 -7.875 1.00 0.81 H new ATOM 0 HA ASP A 25 65.514 10.169 -6.701 1.00 0.97 H new ATOM 0 HB2 ASP A 25 67.050 9.607 -9.240 1.00 1.18 H new ATOM 0 HB3 ASP A 25 65.667 10.668 -9.417 1.00 1.18 H new ATOM 399 N ILE A 26 64.179 7.805 -8.384 1.00 0.99 N ATOM 400 CA ILE A 26 62.869 7.280 -8.856 1.00 1.18 C ATOM 401 C ILE A 26 62.024 6.786 -7.676 1.00 1.09 C ATOM 402 O ILE A 26 60.814 6.885 -7.686 1.00 1.23 O ATOM 403 CB ILE A 26 63.226 6.122 -9.781 1.00 1.38 C ATOM 404 CG1 ILE A 26 64.119 6.644 -10.914 1.00 1.55 C ATOM 405 CG2 ILE A 26 61.939 5.527 -10.355 1.00 1.60 C ATOM 406 CD1 ILE A 26 64.064 5.691 -12.109 1.00 1.61 C ATOM 0 H ILE A 26 64.935 7.120 -8.353 1.00 0.99 H new ATOM 0 HA ILE A 26 62.278 8.045 -9.360 1.00 1.18 H new ATOM 0 HB ILE A 26 63.762 5.349 -9.230 1.00 1.38 H new ATOM 0 HG12 ILE A 26 63.791 7.638 -11.217 1.00 1.55 H new ATOM 0 HG13 ILE A 26 65.146 6.740 -10.563 1.00 1.55 H new ATOM 0 HG21 ILE A 26 62.186 4.698 -11.018 1.00 1.60 H new ATOM 0 HG22 ILE A 26 61.310 5.166 -9.541 1.00 1.60 H new ATOM 0 HG23 ILE A 26 61.403 6.293 -10.916 1.00 1.60 H new ATOM 0 HD11 ILE A 26 64.701 6.071 -12.907 1.00 1.61 H new ATOM 0 HD12 ILE A 26 64.414 4.705 -11.804 1.00 1.61 H new ATOM 0 HD13 ILE A 26 63.038 5.617 -12.468 1.00 1.61 H new ATOM 418 N PHE A 27 62.649 6.257 -6.660 1.00 0.94 N ATOM 419 CA PHE A 27 61.873 5.761 -5.489 1.00 0.95 C ATOM 420 C PHE A 27 61.438 6.938 -4.610 1.00 0.79 C ATOM 421 O PHE A 27 60.594 6.802 -3.746 1.00 0.87 O ATOM 422 CB PHE A 27 62.839 4.845 -4.738 1.00 1.05 C ATOM 423 CG PHE A 27 63.424 3.835 -5.697 1.00 1.28 C ATOM 424 CD1 PHE A 27 62.626 3.281 -6.706 1.00 1.67 C ATOM 425 CD2 PHE A 27 64.766 3.450 -5.578 1.00 1.97 C ATOM 426 CE1 PHE A 27 63.168 2.345 -7.594 1.00 1.91 C ATOM 427 CE2 PHE A 27 65.307 2.514 -6.467 1.00 2.24 C ATOM 428 CZ PHE A 27 64.509 1.961 -7.474 1.00 1.91 C ATOM 0 H PHE A 27 63.661 6.147 -6.590 1.00 0.94 H new ATOM 0 HA PHE A 27 60.964 5.236 -5.781 1.00 0.95 H new ATOM 0 HB2 PHE A 27 63.635 5.434 -4.283 1.00 1.05 H new ATOM 0 HB3 PHE A 27 62.318 4.334 -3.929 1.00 1.05 H new ATOM 0 HD1 PHE A 27 61.591 3.576 -6.799 1.00 1.67 H new ATOM 0 HD2 PHE A 27 65.383 3.875 -4.800 1.00 1.97 H new ATOM 0 HE1 PHE A 27 62.552 1.919 -8.372 1.00 1.91 H new ATOM 0 HE2 PHE A 27 66.342 2.218 -6.375 1.00 2.24 H new ATOM 0 HZ PHE A 27 64.927 1.238 -8.159 1.00 1.91 H new ATOM 438 N VAL A 28 62.006 8.094 -4.828 1.00 0.76 N ATOM 439 CA VAL A 28 61.630 9.281 -4.016 1.00 0.78 C ATOM 440 C VAL A 28 60.657 10.169 -4.797 1.00 0.97 C ATOM 441 O VAL A 28 60.373 11.286 -4.412 1.00 1.39 O ATOM 442 CB VAL A 28 62.946 10.012 -3.775 1.00 0.77 C ATOM 443 CG1 VAL A 28 63.894 9.109 -2.985 1.00 1.33 C ATOM 444 CG2 VAL A 28 63.585 10.370 -5.117 1.00 1.34 C ATOM 0 H VAL A 28 62.718 8.265 -5.538 1.00 0.76 H new ATOM 0 HA VAL A 28 61.132 9.011 -3.085 1.00 0.78 H new ATOM 0 HB VAL A 28 62.755 10.924 -3.209 1.00 0.77 H new ATOM 0 HG11 VAL A 28 64.835 9.632 -2.813 1.00 1.33 H new ATOM 0 HG12 VAL A 28 63.440 8.854 -2.027 1.00 1.33 H new ATOM 0 HG13 VAL A 28 64.084 8.197 -3.551 1.00 1.33 H new ATOM 0 HG21 VAL A 28 64.526 10.893 -4.944 1.00 1.34 H new ATOM 0 HG22 VAL A 28 63.775 9.459 -5.684 1.00 1.34 H new ATOM 0 HG23 VAL A 28 62.910 11.014 -5.681 1.00 1.34 H new ATOM 454 N LEU A 29 60.150 9.681 -5.895 1.00 1.11 N ATOM 455 CA LEU A 29 59.200 10.494 -6.707 1.00 1.39 C ATOM 456 C LEU A 29 58.169 11.177 -5.802 1.00 1.56 C ATOM 457 O LEU A 29 57.220 10.565 -5.354 1.00 1.98 O ATOM 458 CB LEU A 29 58.517 9.490 -7.635 1.00 1.45 C ATOM 459 CG LEU A 29 58.718 9.921 -9.087 1.00 1.71 C ATOM 460 CD1 LEU A 29 58.309 11.385 -9.245 1.00 2.28 C ATOM 461 CD2 LEU A 29 60.194 9.760 -9.466 1.00 2.41 C ATOM 0 H LEU A 29 60.353 8.753 -6.266 1.00 1.11 H new ATOM 0 HA LEU A 29 59.705 11.286 -7.260 1.00 1.39 H new ATOM 0 HB2 LEU A 29 58.932 8.494 -7.479 1.00 1.45 H new ATOM 0 HB3 LEU A 29 57.453 9.432 -7.406 1.00 1.45 H new ATOM 0 HG LEU A 29 58.104 9.300 -9.739 1.00 1.71 H new ATOM 0 HD11 LEU A 29 58.452 11.693 -10.281 1.00 2.28 H new ATOM 0 HD12 LEU A 29 57.260 11.501 -8.974 1.00 2.28 H new ATOM 0 HD13 LEU A 29 58.923 12.007 -8.593 1.00 2.28 H new ATOM 0 HD21 LEU A 29 60.339 10.067 -10.502 1.00 2.41 H new ATOM 0 HD22 LEU A 29 60.807 10.382 -8.814 1.00 2.41 H new ATOM 0 HD23 LEU A 29 60.487 8.716 -9.353 1.00 2.41 H new ATOM 473 N GLY A 30 58.348 12.442 -5.533 1.00 1.92 N ATOM 474 CA GLY A 30 57.378 13.163 -4.662 1.00 2.16 C ATOM 475 C GLY A 30 57.562 12.723 -3.209 1.00 1.95 C ATOM 476 O GLY A 30 56.672 12.857 -2.393 1.00 2.01 O ATOM 0 H GLY A 30 59.124 13.007 -5.879 1.00 1.92 H new ATOM 0 HA2 GLY A 30 57.528 14.239 -4.748 1.00 2.16 H new ATOM 0 HA3 GLY A 30 56.359 12.956 -4.988 1.00 2.16 H new ATOM 480 N ALA A 31 58.711 12.200 -2.876 1.00 1.94 N ATOM 481 CA ALA A 31 58.945 11.755 -1.473 1.00 1.87 C ATOM 482 C ALA A 31 59.149 12.966 -0.560 1.00 2.03 C ATOM 483 O ALA A 31 60.141 13.071 0.134 1.00 2.28 O ATOM 484 CB ALA A 31 60.214 10.904 -1.531 1.00 1.50 C ATOM 0 H ALA A 31 59.496 12.062 -3.513 1.00 1.94 H new ATOM 0 HA ALA A 31 58.100 11.196 -1.072 1.00 1.87 H new ATOM 0 HB1 ALA A 31 60.453 10.538 -0.532 1.00 1.50 H new ATOM 0 HB2 ALA A 31 60.054 10.058 -2.199 1.00 1.50 H new ATOM 0 HB3 ALA A 31 61.041 11.509 -1.903 1.00 1.50 H new ATOM 490 N GLU A 32 58.215 13.878 -0.554 1.00 2.22 N ATOM 491 CA GLU A 32 58.347 15.082 0.315 1.00 2.52 C ATOM 492 C GLU A 32 59.655 15.821 0.013 1.00 2.19 C ATOM 493 O GLU A 32 59.677 16.786 -0.723 1.00 2.44 O ATOM 494 CB GLU A 32 58.354 14.537 1.743 1.00 3.02 C ATOM 495 CG GLU A 32 56.934 14.126 2.139 1.00 3.65 C ATOM 496 CD GLU A 32 56.065 15.377 2.288 1.00 4.03 C ATOM 497 OE1 GLU A 32 55.716 15.956 1.273 1.00 4.34 O ATOM 498 OE2 GLU A 32 55.764 15.734 3.416 1.00 4.40 O ATOM 0 H GLU A 32 57.364 13.841 -1.115 1.00 2.22 H new ATOM 0 HA GLU A 32 57.540 15.797 0.153 1.00 2.52 H new ATOM 0 HB2 GLU A 32 59.025 13.681 1.814 1.00 3.02 H new ATOM 0 HB3 GLU A 32 58.730 15.294 2.431 1.00 3.02 H new ATOM 0 HG2 GLU A 32 56.511 13.464 1.383 1.00 3.65 H new ATOM 0 HG3 GLU A 32 56.953 13.569 3.076 1.00 3.65 H new ATOM 505 N ASP A 33 60.743 15.376 0.580 1.00 1.88 N ATOM 506 CA ASP A 33 62.046 16.058 0.327 1.00 1.82 C ATOM 507 C ASP A 33 62.888 15.252 -0.667 1.00 1.49 C ATOM 508 O ASP A 33 63.988 15.635 -1.014 1.00 1.70 O ATOM 509 CB ASP A 33 62.734 16.116 1.691 1.00 2.02 C ATOM 510 CG ASP A 33 62.906 14.699 2.238 1.00 2.43 C ATOM 511 OD1 ASP A 33 62.015 13.892 2.029 1.00 2.98 O ATOM 512 OD2 ASP A 33 63.925 14.445 2.859 1.00 2.79 O ATOM 0 H ASP A 33 60.787 14.572 1.206 1.00 1.88 H new ATOM 0 HA ASP A 33 61.913 17.049 -0.106 1.00 1.82 H new ATOM 0 HB2 ASP A 33 63.705 16.602 1.599 1.00 2.02 H new ATOM 0 HB3 ASP A 33 62.142 16.715 2.383 1.00 2.02 H new ATOM 517 N GLY A 34 62.383 14.142 -1.129 1.00 1.25 N ATOM 518 CA GLY A 34 63.158 13.319 -2.100 1.00 1.06 C ATOM 519 C GLY A 34 63.752 12.105 -1.385 1.00 0.97 C ATOM 520 O GLY A 34 64.848 11.671 -1.682 1.00 1.19 O ATOM 0 H GLY A 34 61.468 13.769 -0.877 1.00 1.25 H new ATOM 0 HA2 GLY A 34 62.510 12.993 -2.914 1.00 1.06 H new ATOM 0 HA3 GLY A 34 63.953 13.917 -2.545 1.00 1.06 H new ATOM 524 N CYS A 35 63.034 11.551 -0.448 1.00 0.83 N ATOM 525 CA CYS A 35 63.552 10.360 0.286 1.00 0.79 C ATOM 526 C CYS A 35 62.860 9.093 -0.222 1.00 0.72 C ATOM 527 O CYS A 35 62.057 9.138 -1.133 1.00 0.75 O ATOM 528 CB CYS A 35 63.201 10.613 1.753 1.00 0.83 C ATOM 529 SG CYS A 35 64.401 11.762 2.469 1.00 1.87 S ATOM 0 H CYS A 35 62.110 11.871 -0.158 1.00 0.83 H new ATOM 0 HA CYS A 35 64.624 10.218 0.145 1.00 0.79 H new ATOM 0 HB2 CYS A 35 62.195 11.025 1.832 1.00 0.83 H new ATOM 0 HB3 CYS A 35 63.205 9.674 2.306 1.00 0.83 H new ATOM 0 HG CYS A 35 63.776 12.664 3.166 1.00 1.87 H new ATOM 535 N ILE A 36 63.163 7.963 0.356 1.00 0.68 N ATOM 536 CA ILE A 36 62.516 6.698 -0.105 1.00 0.69 C ATOM 537 C ILE A 36 61.775 6.035 1.060 1.00 0.78 C ATOM 538 O ILE A 36 62.106 4.942 1.477 1.00 0.91 O ATOM 539 CB ILE A 36 63.647 5.782 -0.608 1.00 0.66 C ATOM 540 CG1 ILE A 36 64.904 6.597 -0.950 1.00 0.65 C ATOM 541 CG2 ILE A 36 63.174 5.052 -1.865 1.00 0.65 C ATOM 542 CD1 ILE A 36 66.024 5.651 -1.387 1.00 0.76 C ATOM 0 H ILE A 36 63.827 7.859 1.124 1.00 0.68 H new ATOM 0 HA ILE A 36 61.789 6.890 -0.894 1.00 0.69 H new ATOM 0 HB ILE A 36 63.895 5.071 0.180 1.00 0.66 H new ATOM 0 HG12 ILE A 36 64.683 7.308 -1.746 1.00 0.65 H new ATOM 0 HG13 ILE A 36 65.221 7.177 -0.083 1.00 0.65 H new ATOM 0 HG21 ILE A 36 63.969 4.401 -2.228 1.00 0.65 H new ATOM 0 HG22 ILE A 36 62.294 4.454 -1.629 1.00 0.65 H new ATOM 0 HG23 ILE A 36 62.921 5.780 -2.635 1.00 0.65 H new ATOM 0 HD11 ILE A 36 66.915 6.230 -1.629 1.00 0.76 H new ATOM 0 HD12 ILE A 36 66.251 4.957 -0.577 1.00 0.76 H new ATOM 0 HD13 ILE A 36 65.705 5.091 -2.266 1.00 0.76 H new ATOM 554 N SER A 37 60.774 6.688 1.586 1.00 0.79 N ATOM 555 CA SER A 37 60.011 6.096 2.723 1.00 0.91 C ATOM 556 C SER A 37 59.722 4.616 2.454 1.00 0.85 C ATOM 557 O SER A 37 59.651 4.185 1.321 1.00 0.92 O ATOM 558 CB SER A 37 58.710 6.895 2.783 1.00 1.09 C ATOM 559 OG SER A 37 58.112 6.916 1.493 1.00 1.94 O ATOM 0 H SER A 37 60.452 7.605 1.278 1.00 0.79 H new ATOM 0 HA SER A 37 60.563 6.145 3.662 1.00 0.91 H new ATOM 0 HB2 SER A 37 58.028 6.447 3.506 1.00 1.09 H new ATOM 0 HB3 SER A 37 58.909 7.912 3.121 1.00 1.09 H new ATOM 0 HG SER A 37 57.276 7.426 1.528 1.00 1.94 H new ATOM 565 N THR A 38 59.555 3.837 3.487 1.00 0.88 N ATOM 566 CA THR A 38 59.271 2.385 3.288 1.00 1.02 C ATOM 567 C THR A 38 57.984 2.203 2.479 1.00 1.13 C ATOM 568 O THR A 38 57.831 1.246 1.747 1.00 1.48 O ATOM 569 CB THR A 38 59.107 1.816 4.698 1.00 1.12 C ATOM 570 OG1 THR A 38 58.757 0.441 4.618 1.00 1.47 O ATOM 571 CG2 THR A 38 58.007 2.584 5.428 1.00 1.25 C ATOM 0 H THR A 38 59.603 4.141 4.459 1.00 0.88 H new ATOM 0 HA THR A 38 60.064 1.881 2.736 1.00 1.02 H new ATOM 0 HB THR A 38 60.045 1.917 5.244 1.00 1.12 H new ATOM 0 HG1 THR A 38 57.976 0.269 5.185 1.00 1.47 H new ATOM 0 HG21 THR A 38 57.888 2.181 6.434 1.00 1.25 H new ATOM 0 HG22 THR A 38 58.278 3.638 5.490 1.00 1.25 H new ATOM 0 HG23 THR A 38 57.069 2.482 4.883 1.00 1.25 H new ATOM 579 N LYS A 39 57.057 3.113 2.606 1.00 1.09 N ATOM 580 CA LYS A 39 55.781 2.988 1.843 1.00 1.33 C ATOM 581 C LYS A 39 56.058 3.025 0.338 1.00 1.20 C ATOM 582 O LYS A 39 55.365 2.406 -0.445 1.00 1.45 O ATOM 583 CB LYS A 39 54.945 4.195 2.267 1.00 1.57 C ATOM 584 CG LYS A 39 53.460 3.878 2.082 1.00 2.27 C ATOM 585 CD LYS A 39 52.744 3.978 3.430 1.00 2.86 C ATOM 586 CE LYS A 39 51.451 4.779 3.259 1.00 3.52 C ATOM 587 NZ LYS A 39 50.360 3.764 3.313 1.00 4.37 N ATOM 0 H LYS A 39 57.127 3.936 3.204 1.00 1.09 H new ATOM 0 HA LYS A 39 55.269 2.048 2.047 1.00 1.33 H new ATOM 0 HB2 LYS A 39 55.148 4.443 3.309 1.00 1.57 H new ATOM 0 HB3 LYS A 39 55.218 5.067 1.673 1.00 1.57 H new ATOM 0 HG2 LYS A 39 53.015 4.573 1.370 1.00 2.27 H new ATOM 0 HG3 LYS A 39 53.340 2.877 1.668 1.00 2.27 H new ATOM 0 HD2 LYS A 39 52.520 2.981 3.810 1.00 2.86 H new ATOM 0 HD3 LYS A 39 53.390 4.461 4.163 1.00 2.86 H new ATOM 0 HE2 LYS A 39 51.339 5.522 4.049 1.00 3.52 H new ATOM 0 HE3 LYS A 39 51.443 5.318 2.312 1.00 3.52 H new ATOM 0 HZ1 LYS A 39 49.440 4.237 3.203 1.00 4.37 H new ATOM 0 HZ2 LYS A 39 50.489 3.074 2.545 1.00 4.37 H new ATOM 0 HZ3 LYS A 39 50.389 3.272 4.229 1.00 4.37 H new ATOM 601 N GLU A 40 57.065 3.744 -0.075 1.00 0.96 N ATOM 602 CA GLU A 40 57.382 3.818 -1.529 1.00 0.95 C ATOM 603 C GLU A 40 58.585 2.929 -1.851 1.00 0.84 C ATOM 604 O GLU A 40 59.407 3.257 -2.683 1.00 0.95 O ATOM 605 CB GLU A 40 57.715 5.287 -1.789 1.00 1.08 C ATOM 606 CG GLU A 40 57.613 5.579 -3.287 1.00 1.33 C ATOM 607 CD GLU A 40 56.819 6.868 -3.504 1.00 1.85 C ATOM 608 OE1 GLU A 40 57.198 7.877 -2.932 1.00 1.99 O ATOM 609 OE2 GLU A 40 55.846 6.825 -4.239 1.00 2.70 O ATOM 0 H GLU A 40 57.682 4.284 0.532 1.00 0.96 H new ATOM 0 HA GLU A 40 56.556 3.473 -2.151 1.00 0.95 H new ATOM 0 HB2 GLU A 40 57.030 5.929 -1.236 1.00 1.08 H new ATOM 0 HB3 GLU A 40 58.720 5.511 -1.432 1.00 1.08 H new ATOM 0 HG2 GLU A 40 58.610 5.677 -3.718 1.00 1.33 H new ATOM 0 HG3 GLU A 40 57.125 4.749 -3.798 1.00 1.33 H new ATOM 616 N LEU A 41 58.693 1.804 -1.199 1.00 0.81 N ATOM 617 CA LEU A 41 59.844 0.894 -1.466 1.00 0.75 C ATOM 618 C LEU A 41 59.340 -0.487 -1.895 1.00 0.77 C ATOM 619 O LEU A 41 59.969 -1.171 -2.677 1.00 0.77 O ATOM 620 CB LEU A 41 60.592 0.803 -0.135 1.00 0.82 C ATOM 621 CG LEU A 41 61.903 1.584 -0.235 1.00 0.89 C ATOM 622 CD1 LEU A 41 62.628 1.542 1.111 1.00 1.10 C ATOM 623 CD2 LEU A 41 62.790 0.953 -1.311 1.00 1.20 C ATOM 0 H LEU A 41 58.034 1.475 -0.493 1.00 0.81 H new ATOM 0 HA LEU A 41 60.483 1.261 -2.269 1.00 0.75 H new ATOM 0 HB2 LEU A 41 59.976 1.206 0.669 1.00 0.82 H new ATOM 0 HB3 LEU A 41 60.795 -0.239 0.110 1.00 0.82 H new ATOM 0 HG LEU A 41 61.689 2.620 -0.499 1.00 0.89 H new ATOM 0 HD11 LEU A 41 63.562 2.099 1.039 1.00 1.10 H new ATOM 0 HD12 LEU A 41 61.997 1.990 1.878 1.00 1.10 H new ATOM 0 HD13 LEU A 41 62.842 0.507 1.377 1.00 1.10 H new ATOM 0 HD21 LEU A 41 63.725 1.509 -1.384 1.00 1.20 H new ATOM 0 HD22 LEU A 41 63.003 -0.083 -1.046 1.00 1.20 H new ATOM 0 HD23 LEU A 41 62.275 0.983 -2.271 1.00 1.20 H new ATOM 635 N GLY A 42 58.209 -0.901 -1.392 1.00 0.88 N ATOM 636 CA GLY A 42 57.668 -2.236 -1.776 1.00 1.02 C ATOM 637 C GLY A 42 57.668 -2.365 -3.300 1.00 0.99 C ATOM 638 O GLY A 42 58.318 -3.226 -3.858 1.00 1.11 O ATOM 0 H GLY A 42 57.637 -0.373 -0.733 1.00 0.88 H new ATOM 0 HA2 GLY A 42 58.273 -3.027 -1.333 1.00 1.02 H new ATOM 0 HA3 GLY A 42 56.656 -2.355 -1.390 1.00 1.02 H new ATOM 642 N LYS A 43 56.947 -1.514 -3.979 1.00 0.91 N ATOM 643 CA LYS A 43 56.915 -1.594 -5.467 1.00 1.00 C ATOM 644 C LYS A 43 58.319 -1.362 -6.031 1.00 0.84 C ATOM 645 O LYS A 43 58.628 -1.759 -7.137 1.00 0.89 O ATOM 646 CB LYS A 43 55.962 -0.481 -5.910 1.00 1.12 C ATOM 647 CG LYS A 43 56.577 0.884 -5.597 1.00 1.32 C ATOM 648 CD LYS A 43 55.520 1.973 -5.792 1.00 1.85 C ATOM 649 CE LYS A 43 56.208 3.315 -6.054 1.00 2.24 C ATOM 650 NZ LYS A 43 55.150 4.338 -5.828 1.00 2.80 N ATOM 0 H LYS A 43 56.381 -0.770 -3.570 1.00 0.91 H new ATOM 0 HA LYS A 43 56.584 -2.570 -5.823 1.00 1.00 H new ATOM 0 HB2 LYS A 43 55.763 -0.564 -6.979 1.00 1.12 H new ATOM 0 HB3 LYS A 43 55.005 -0.585 -5.399 1.00 1.12 H new ATOM 0 HG2 LYS A 43 56.949 0.902 -4.573 1.00 1.32 H new ATOM 0 HG3 LYS A 43 57.431 1.069 -6.249 1.00 1.32 H new ATOM 0 HD2 LYS A 43 54.869 1.717 -6.628 1.00 1.85 H new ATOM 0 HD3 LYS A 43 54.888 2.043 -4.907 1.00 1.85 H new ATOM 0 HE2 LYS A 43 57.052 3.464 -5.381 1.00 2.24 H new ATOM 0 HE3 LYS A 43 56.598 3.367 -7.071 1.00 2.24 H new ATOM 0 HZ1 LYS A 43 55.541 5.125 -5.272 1.00 2.80 H new ATOM 0 HZ2 LYS A 43 54.812 4.696 -6.744 1.00 2.80 H new ATOM 0 HZ3 LYS A 43 54.357 3.909 -5.310 1.00 2.80 H new ATOM 664 N VAL A 44 59.173 -0.727 -5.274 1.00 0.75 N ATOM 665 CA VAL A 44 60.560 -0.476 -5.762 1.00 0.68 C ATOM 666 C VAL A 44 61.398 -1.750 -5.634 1.00 0.68 C ATOM 667 O VAL A 44 62.060 -2.167 -6.564 1.00 0.76 O ATOM 668 CB VAL A 44 61.112 0.617 -4.848 1.00 0.72 C ATOM 669 CG1 VAL A 44 62.627 0.714 -5.027 1.00 1.10 C ATOM 670 CG2 VAL A 44 60.469 1.958 -5.210 1.00 1.70 C ATOM 0 H VAL A 44 58.971 -0.371 -4.340 1.00 0.75 H new ATOM 0 HA VAL A 44 60.582 -0.179 -6.811 1.00 0.68 H new ATOM 0 HB VAL A 44 60.883 0.373 -3.811 1.00 0.72 H new ATOM 0 HG11 VAL A 44 63.021 1.494 -4.375 1.00 1.10 H new ATOM 0 HG12 VAL A 44 63.086 -0.241 -4.769 1.00 1.10 H new ATOM 0 HG13 VAL A 44 62.856 0.958 -6.064 1.00 1.10 H new ATOM 0 HG21 VAL A 44 60.863 2.738 -4.558 1.00 1.70 H new ATOM 0 HG22 VAL A 44 60.697 2.203 -6.247 1.00 1.70 H new ATOM 0 HG23 VAL A 44 59.389 1.890 -5.083 1.00 1.70 H new ATOM 680 N MET A 45 61.373 -2.368 -4.486 1.00 0.79 N ATOM 681 CA MET A 45 62.165 -3.617 -4.291 1.00 0.99 C ATOM 682 C MET A 45 61.894 -4.598 -5.434 1.00 1.03 C ATOM 683 O MET A 45 62.781 -5.286 -5.898 1.00 1.16 O ATOM 684 CB MET A 45 61.676 -4.192 -2.962 1.00 1.26 C ATOM 685 CG MET A 45 62.256 -3.374 -1.807 1.00 1.54 C ATOM 686 SD MET A 45 63.770 -4.165 -1.211 1.00 2.11 S ATOM 687 CE MET A 45 64.896 -3.454 -2.437 1.00 1.74 C ATOM 0 H MET A 45 60.838 -2.063 -3.673 1.00 0.79 H new ATOM 0 HA MET A 45 63.239 -3.429 -4.283 1.00 0.99 H new ATOM 0 HB2 MET A 45 60.587 -4.173 -2.924 1.00 1.26 H new ATOM 0 HB3 MET A 45 61.980 -5.235 -2.871 1.00 1.26 H new ATOM 0 HG2 MET A 45 62.470 -2.358 -2.138 1.00 1.54 H new ATOM 0 HG3 MET A 45 61.529 -3.300 -0.998 1.00 1.54 H new ATOM 0 HE1 MET A 45 65.918 -3.495 -2.060 1.00 1.74 H new ATOM 0 HE2 MET A 45 64.829 -4.022 -3.365 1.00 1.74 H new ATOM 0 HE3 MET A 45 64.620 -2.416 -2.626 1.00 1.74 H new ATOM 697 N ARG A 46 60.674 -4.668 -5.890 1.00 1.05 N ATOM 698 CA ARG A 46 60.346 -5.603 -7.002 1.00 1.22 C ATOM 699 C ARG A 46 61.055 -5.165 -8.286 1.00 1.26 C ATOM 700 O ARG A 46 61.460 -5.978 -9.093 1.00 1.51 O ATOM 701 CB ARG A 46 58.830 -5.504 -7.168 1.00 1.28 C ATOM 702 CG ARG A 46 58.169 -6.738 -6.553 1.00 1.46 C ATOM 703 CD ARG A 46 56.712 -6.417 -6.208 1.00 1.98 C ATOM 704 NE ARG A 46 55.936 -6.807 -7.418 1.00 2.34 N ATOM 705 CZ ARG A 46 54.878 -7.562 -7.297 1.00 2.82 C ATOM 706 NH1 ARG A 46 53.851 -7.142 -6.611 1.00 3.34 N ATOM 707 NH2 ARG A 46 54.847 -8.737 -7.865 1.00 3.26 N ATOM 0 H ARG A 46 59.890 -4.118 -5.540 1.00 1.05 H new ATOM 0 HA ARG A 46 60.668 -6.623 -6.793 1.00 1.22 H new ATOM 0 HB2 ARG A 46 58.459 -4.600 -6.685 1.00 1.28 H new ATOM 0 HB3 ARG A 46 58.573 -5.429 -8.225 1.00 1.28 H new ATOM 0 HG2 ARG A 46 58.213 -7.574 -7.251 1.00 1.46 H new ATOM 0 HG3 ARG A 46 58.708 -7.044 -5.656 1.00 1.46 H new ATOM 0 HD2 ARG A 46 56.382 -6.974 -5.331 1.00 1.98 H new ATOM 0 HD3 ARG A 46 56.584 -5.359 -5.981 1.00 1.98 H new ATOM 0 HE ARG A 46 56.231 -6.485 -8.340 1.00 2.34 H new ATOM 0 HH11 ARG A 46 53.874 -6.223 -6.169 1.00 3.34 H new ATOM 0 HH12 ARG A 46 53.025 -7.732 -6.517 1.00 3.34 H new ATOM 0 HH21 ARG A 46 55.649 -9.065 -8.403 1.00 3.26 H new ATOM 0 HH22 ARG A 46 54.021 -9.327 -7.771 1.00 3.26 H new ATOM 721 N MET A 47 61.206 -3.884 -8.482 1.00 1.11 N ATOM 722 CA MET A 47 61.888 -3.394 -9.715 1.00 1.26 C ATOM 723 C MET A 47 63.368 -3.781 -9.693 1.00 1.19 C ATOM 724 O MET A 47 63.900 -4.292 -10.658 1.00 1.31 O ATOM 725 CB MET A 47 61.733 -1.876 -9.673 1.00 1.28 C ATOM 726 CG MET A 47 60.503 -1.464 -10.484 1.00 1.46 C ATOM 727 SD MET A 47 61.015 -0.402 -11.855 1.00 1.99 S ATOM 728 CE MET A 47 61.418 1.059 -10.866 1.00 2.19 C ATOM 0 H MET A 47 60.887 -3.156 -7.843 1.00 1.11 H new ATOM 0 HA MET A 47 61.462 -3.825 -10.621 1.00 1.26 H new ATOM 0 HB2 MET A 47 61.631 -1.539 -8.641 1.00 1.28 H new ATOM 0 HB3 MET A 47 62.625 -1.398 -10.078 1.00 1.28 H new ATOM 0 HG2 MET A 47 59.993 -2.348 -10.866 1.00 1.46 H new ATOM 0 HG3 MET A 47 59.793 -0.937 -9.846 1.00 1.46 H new ATOM 0 HE1 MET A 47 61.505 1.928 -11.519 1.00 2.19 H new ATOM 0 HE2 MET A 47 60.629 1.232 -10.134 1.00 2.19 H new ATOM 0 HE3 MET A 47 62.364 0.898 -10.348 1.00 2.19 H new ATOM 738 N LEU A 48 64.037 -3.541 -8.600 1.00 1.09 N ATOM 739 CA LEU A 48 65.482 -3.895 -8.519 1.00 1.18 C ATOM 740 C LEU A 48 65.679 -5.379 -8.840 1.00 1.51 C ATOM 741 O LEU A 48 66.143 -5.738 -9.904 1.00 1.89 O ATOM 742 CB LEU A 48 65.886 -3.596 -7.075 1.00 1.18 C ATOM 743 CG LEU A 48 65.812 -2.089 -6.828 1.00 1.35 C ATOM 744 CD1 LEU A 48 66.285 -1.784 -5.405 1.00 2.05 C ATOM 745 CD2 LEU A 48 66.712 -1.365 -7.831 1.00 1.70 C ATOM 0 H LEU A 48 63.646 -3.115 -7.760 1.00 1.09 H new ATOM 0 HA LEU A 48 66.086 -3.334 -9.232 1.00 1.18 H new ATOM 0 HB2 LEU A 48 65.226 -4.121 -6.385 1.00 1.18 H new ATOM 0 HB3 LEU A 48 66.897 -3.957 -6.886 1.00 1.18 H new ATOM 0 HG LEU A 48 64.784 -1.749 -6.951 1.00 1.35 H new ATOM 0 HD11 LEU A 48 66.233 -0.710 -5.227 1.00 2.05 H new ATOM 0 HD12 LEU A 48 65.645 -2.302 -4.690 1.00 2.05 H new ATOM 0 HD13 LEU A 48 67.314 -2.123 -5.283 1.00 2.05 H new ATOM 0 HD21 LEU A 48 66.660 -0.290 -7.656 1.00 1.70 H new ATOM 0 HD22 LEU A 48 67.741 -1.704 -7.708 1.00 1.70 H new ATOM 0 HD23 LEU A 48 66.377 -1.584 -8.845 1.00 1.70 H new ATOM 757 N GLY A 49 65.330 -6.245 -7.930 1.00 1.56 N ATOM 758 CA GLY A 49 65.497 -7.703 -8.189 1.00 1.97 C ATOM 759 C GLY A 49 65.176 -8.491 -6.918 1.00 1.69 C ATOM 760 O GLY A 49 65.791 -9.499 -6.630 1.00 1.87 O ATOM 0 H GLY A 49 64.937 -6.007 -7.019 1.00 1.56 H new ATOM 0 HA2 GLY A 49 64.838 -8.016 -8.999 1.00 1.97 H new ATOM 0 HA3 GLY A 49 66.518 -7.911 -8.510 1.00 1.97 H new ATOM 764 N GLN A 50 64.219 -8.043 -6.154 1.00 1.38 N ATOM 765 CA GLN A 50 63.863 -8.771 -4.903 1.00 1.26 C ATOM 766 C GLN A 50 62.348 -8.971 -4.816 1.00 1.19 C ATOM 767 O GLN A 50 61.611 -8.617 -5.715 1.00 1.25 O ATOM 768 CB GLN A 50 64.347 -7.868 -3.767 1.00 1.39 C ATOM 769 CG GLN A 50 65.609 -8.465 -3.141 1.00 1.69 C ATOM 770 CD GLN A 50 66.622 -7.348 -2.879 1.00 2.12 C ATOM 771 OE1 GLN A 50 66.399 -6.493 -2.046 1.00 2.58 O ATOM 772 NE2 GLN A 50 67.734 -7.320 -3.563 1.00 2.76 N ATOM 0 H GLN A 50 63.668 -7.205 -6.341 1.00 1.38 H new ATOM 0 HA GLN A 50 64.317 -9.761 -4.861 1.00 1.26 H new ATOM 0 HB2 GLN A 50 64.555 -6.868 -4.147 1.00 1.39 H new ATOM 0 HB3 GLN A 50 63.567 -7.766 -3.012 1.00 1.39 H new ATOM 0 HG2 GLN A 50 65.361 -8.972 -2.209 1.00 1.69 H new ATOM 0 HG3 GLN A 50 66.040 -9.213 -3.806 1.00 1.69 H new ATOM 0 HE21 GLN A 50 67.921 -8.038 -4.263 1.00 2.76 H new ATOM 0 HE22 GLN A 50 68.416 -6.580 -3.398 1.00 2.76 H new ATOM 781 N ASN A 51 61.881 -9.536 -3.738 1.00 1.22 N ATOM 782 CA ASN A 51 60.416 -9.761 -3.583 1.00 1.29 C ATOM 783 C ASN A 51 60.036 -9.721 -2.101 1.00 1.25 C ATOM 784 O ASN A 51 59.581 -10.702 -1.548 1.00 1.41 O ATOM 785 CB ASN A 51 60.163 -11.152 -4.164 1.00 1.54 C ATOM 786 CG ASN A 51 58.745 -11.218 -4.733 1.00 1.88 C ATOM 787 OD1 ASN A 51 57.780 -11.164 -3.997 1.00 2.25 O ATOM 788 ND2 ASN A 51 58.575 -11.335 -6.021 1.00 2.57 N ATOM 0 H ASN A 51 62.452 -9.853 -2.955 1.00 1.22 H new ATOM 0 HA ASN A 51 59.823 -8.998 -4.087 1.00 1.29 H new ATOM 0 HB2 ASN A 51 60.890 -11.369 -4.946 1.00 1.54 H new ATOM 0 HB3 ASN A 51 60.291 -11.909 -3.391 1.00 1.54 H new ATOM 0 HD21 ASN A 51 57.633 -11.381 -6.409 1.00 2.57 H new ATOM 0 HD22 ASN A 51 59.384 -11.380 -6.640 1.00 2.57 H new ATOM 795 N PRO A 52 60.246 -8.580 -1.507 1.00 1.15 N ATOM 796 CA PRO A 52 59.930 -8.399 -0.069 1.00 1.20 C ATOM 797 C PRO A 52 58.416 -8.327 0.142 1.00 1.33 C ATOM 798 O PRO A 52 57.645 -8.373 -0.794 1.00 1.45 O ATOM 799 CB PRO A 52 60.591 -7.068 0.277 1.00 1.19 C ATOM 800 CG PRO A 52 60.678 -6.328 -1.019 1.00 1.20 C ATOM 801 CD PRO A 52 60.787 -7.359 -2.113 1.00 1.14 C ATOM 0 HA PRO A 52 60.284 -9.221 0.554 1.00 1.20 H new ATOM 0 HB2 PRO A 52 60.003 -6.514 1.009 1.00 1.19 H new ATOM 0 HB3 PRO A 52 61.579 -7.220 0.712 1.00 1.19 H new ATOM 0 HG2 PRO A 52 59.797 -5.703 -1.165 1.00 1.20 H new ATOM 0 HG3 PRO A 52 61.544 -5.666 -1.027 1.00 1.20 H new ATOM 0 HD2 PRO A 52 60.218 -7.066 -2.995 1.00 1.14 H new ATOM 0 HD3 PRO A 52 61.821 -7.496 -2.431 1.00 1.14 H new ATOM 809 N THR A 53 57.987 -8.213 1.368 1.00 1.39 N ATOM 810 CA THR A 53 56.523 -8.136 1.641 1.00 1.58 C ATOM 811 C THR A 53 56.191 -6.812 2.331 1.00 1.47 C ATOM 812 O THR A 53 57.069 -6.134 2.828 1.00 1.27 O ATOM 813 CB THR A 53 56.232 -9.315 2.571 1.00 1.77 C ATOM 814 OG1 THR A 53 56.944 -9.145 3.789 1.00 1.69 O ATOM 815 CG2 THR A 53 56.670 -10.618 1.900 1.00 1.97 C ATOM 0 H THR A 53 58.586 -8.170 2.193 1.00 1.39 H new ATOM 0 HA THR A 53 55.926 -8.181 0.730 1.00 1.58 H new ATOM 0 HB THR A 53 55.163 -9.357 2.778 1.00 1.77 H new ATOM 0 HG1 THR A 53 56.756 -9.899 4.386 1.00 1.69 H new ATOM 0 HG21 THR A 53 56.462 -11.457 2.564 1.00 1.97 H new ATOM 0 HG22 THR A 53 56.122 -10.749 0.967 1.00 1.97 H new ATOM 0 HG23 THR A 53 57.739 -10.578 1.690 1.00 1.97 H new ATOM 823 N PRO A 54 54.929 -6.488 2.343 1.00 1.64 N ATOM 824 CA PRO A 54 54.473 -5.230 2.983 1.00 1.63 C ATOM 825 C PRO A 54 54.600 -5.340 4.505 1.00 1.55 C ATOM 826 O PRO A 54 54.637 -4.351 5.209 1.00 1.47 O ATOM 827 CB PRO A 54 53.011 -5.121 2.558 1.00 1.92 C ATOM 828 CG PRO A 54 52.591 -6.526 2.263 1.00 2.08 C ATOM 829 CD PRO A 54 53.815 -7.251 1.770 1.00 1.93 C ATOM 0 HA PRO A 54 55.057 -4.357 2.691 1.00 1.63 H new ATOM 0 HB2 PRO A 54 52.401 -4.684 3.349 1.00 1.92 H new ATOM 0 HB3 PRO A 54 52.901 -4.483 1.681 1.00 1.92 H new ATOM 0 HG2 PRO A 54 52.191 -7.006 3.156 1.00 2.08 H new ATOM 0 HG3 PRO A 54 51.802 -6.544 1.511 1.00 2.08 H new ATOM 0 HD2 PRO A 54 53.827 -8.288 2.104 1.00 1.93 H new ATOM 0 HD3 PRO A 54 53.859 -7.266 0.681 1.00 1.93 H new ATOM 837 N GLU A 55 54.668 -6.540 5.014 1.00 1.61 N ATOM 838 CA GLU A 55 54.795 -6.722 6.488 1.00 1.58 C ATOM 839 C GLU A 55 56.261 -6.601 6.915 1.00 1.42 C ATOM 840 O GLU A 55 56.569 -6.091 7.972 1.00 1.36 O ATOM 841 CB GLU A 55 54.275 -8.135 6.756 1.00 1.74 C ATOM 842 CG GLU A 55 52.927 -8.058 7.474 1.00 2.16 C ATOM 843 CD GLU A 55 53.057 -8.670 8.869 1.00 2.56 C ATOM 844 OE1 GLU A 55 53.435 -9.827 8.953 1.00 3.10 O ATOM 845 OE2 GLU A 55 52.776 -7.973 9.829 1.00 2.83 O ATOM 0 H GLU A 55 54.641 -7.403 4.472 1.00 1.61 H new ATOM 0 HA GLU A 55 54.240 -5.968 7.046 1.00 1.58 H new ATOM 0 HB2 GLU A 55 54.168 -8.678 5.817 1.00 1.74 H new ATOM 0 HB3 GLU A 55 54.991 -8.688 7.364 1.00 1.74 H new ATOM 0 HG2 GLU A 55 52.602 -7.020 7.549 1.00 2.16 H new ATOM 0 HG3 GLU A 55 52.167 -8.590 6.901 1.00 2.16 H new ATOM 852 N GLU A 56 57.166 -7.072 6.100 1.00 1.38 N ATOM 853 CA GLU A 56 58.611 -6.990 6.462 1.00 1.26 C ATOM 854 C GLU A 56 59.212 -5.673 5.962 1.00 1.14 C ATOM 855 O GLU A 56 60.071 -5.094 6.597 1.00 1.07 O ATOM 856 CB GLU A 56 59.264 -8.176 5.753 1.00 1.32 C ATOM 857 CG GLU A 56 59.579 -9.270 6.775 1.00 2.10 C ATOM 858 CD GLU A 56 58.275 -9.785 7.388 1.00 2.79 C ATOM 859 OE1 GLU A 56 57.661 -9.041 8.134 1.00 3.18 O ATOM 860 OE2 GLU A 56 57.914 -10.915 7.101 1.00 3.40 O ATOM 0 H GLU A 56 56.968 -7.510 5.200 1.00 1.38 H new ATOM 0 HA GLU A 56 58.766 -7.020 7.540 1.00 1.26 H new ATOM 0 HB2 GLU A 56 58.598 -8.564 4.982 1.00 1.32 H new ATOM 0 HB3 GLU A 56 60.178 -7.856 5.253 1.00 1.32 H new ATOM 0 HG2 GLU A 56 60.116 -10.088 6.294 1.00 2.10 H new ATOM 0 HG3 GLU A 56 60.230 -8.877 7.556 1.00 2.10 H new ATOM 867 N LEU A 57 58.771 -5.203 4.828 1.00 1.17 N ATOM 868 CA LEU A 57 59.319 -3.926 4.284 1.00 1.13 C ATOM 869 C LEU A 57 59.500 -2.901 5.407 1.00 1.06 C ATOM 870 O LEU A 57 60.527 -2.262 5.517 1.00 1.02 O ATOM 871 CB LEU A 57 58.276 -3.442 3.277 1.00 1.24 C ATOM 872 CG LEU A 57 58.807 -3.645 1.857 1.00 1.41 C ATOM 873 CD1 LEU A 57 57.633 -3.824 0.894 1.00 1.93 C ATOM 874 CD2 LEU A 57 59.628 -2.422 1.440 1.00 1.87 C ATOM 0 H LEU A 57 58.055 -5.647 4.253 1.00 1.17 H new ATOM 0 HA LEU A 57 60.297 -4.063 3.823 1.00 1.13 H new ATOM 0 HB2 LEU A 57 57.344 -3.991 3.410 1.00 1.24 H new ATOM 0 HB3 LEU A 57 58.053 -2.389 3.446 1.00 1.24 H new ATOM 0 HG LEU A 57 59.438 -4.533 1.828 1.00 1.41 H new ATOM 0 HD11 LEU A 57 58.011 -3.969 -0.118 1.00 1.93 H new ATOM 0 HD12 LEU A 57 57.048 -4.695 1.191 1.00 1.93 H new ATOM 0 HD13 LEU A 57 57.001 -2.936 0.922 1.00 1.93 H new ATOM 0 HD21 LEU A 57 60.007 -2.566 0.428 1.00 1.87 H new ATOM 0 HD22 LEU A 57 58.997 -1.533 1.468 1.00 1.87 H new ATOM 0 HD23 LEU A 57 60.465 -2.295 2.126 1.00 1.87 H new ATOM 886 N GLN A 58 58.510 -2.740 6.242 1.00 1.09 N ATOM 887 CA GLN A 58 58.631 -1.756 7.356 1.00 1.08 C ATOM 888 C GLN A 58 59.725 -2.195 8.334 1.00 1.04 C ATOM 889 O GLN A 58 60.662 -1.470 8.597 1.00 1.05 O ATOM 890 CB GLN A 58 57.264 -1.759 8.040 1.00 1.15 C ATOM 891 CG GLN A 58 57.062 -0.435 8.779 1.00 1.39 C ATOM 892 CD GLN A 58 58.305 -0.120 9.615 1.00 1.62 C ATOM 893 OE1 GLN A 58 58.538 -0.737 10.636 1.00 2.20 O ATOM 894 NE2 GLN A 58 59.120 0.820 9.222 1.00 1.88 N ATOM 0 H GLN A 58 57.625 -3.245 6.202 1.00 1.09 H new ATOM 0 HA GLN A 58 58.905 -0.762 7.001 1.00 1.08 H new ATOM 0 HB2 GLN A 58 56.476 -1.899 7.301 1.00 1.15 H new ATOM 0 HB3 GLN A 58 57.197 -2.592 8.739 1.00 1.15 H new ATOM 0 HG2 GLN A 58 56.879 0.368 8.065 1.00 1.39 H new ATOM 0 HG3 GLN A 58 56.184 -0.496 9.422 1.00 1.39 H new ATOM 0 HE21 GLN A 58 58.925 1.338 8.365 1.00 1.88 H new ATOM 0 HE22 GLN A 58 59.952 1.036 9.771 1.00 1.88 H new ATOM 903 N GLU A 59 59.612 -3.379 8.873 1.00 1.07 N ATOM 904 CA GLU A 59 60.648 -3.860 9.834 1.00 1.09 C ATOM 905 C GLU A 59 62.033 -3.827 9.180 1.00 1.07 C ATOM 906 O GLU A 59 63.014 -3.473 9.802 1.00 1.08 O ATOM 907 CB GLU A 59 60.246 -5.298 10.165 1.00 1.17 C ATOM 908 CG GLU A 59 59.220 -5.292 11.302 1.00 1.28 C ATOM 909 CD GLU A 59 59.456 -6.500 12.209 1.00 1.84 C ATOM 910 OE1 GLU A 59 60.604 -6.874 12.379 1.00 2.18 O ATOM 911 OE2 GLU A 59 58.482 -7.032 12.718 1.00 2.48 O ATOM 0 H GLU A 59 58.850 -4.032 8.691 1.00 1.07 H new ATOM 0 HA GLU A 59 60.703 -3.237 10.727 1.00 1.09 H new ATOM 0 HB2 GLU A 59 59.825 -5.781 9.283 1.00 1.17 H new ATOM 0 HB3 GLU A 59 61.124 -5.875 10.456 1.00 1.17 H new ATOM 0 HG2 GLU A 59 59.304 -4.370 11.877 1.00 1.28 H new ATOM 0 HG3 GLU A 59 58.210 -5.322 10.894 1.00 1.28 H new ATOM 918 N MET A 60 62.119 -4.190 7.928 1.00 1.08 N ATOM 919 CA MET A 60 63.443 -4.176 7.240 1.00 1.09 C ATOM 920 C MET A 60 64.006 -2.753 7.207 1.00 1.10 C ATOM 921 O MET A 60 65.192 -2.548 7.042 1.00 1.47 O ATOM 922 CB MET A 60 63.157 -4.671 5.821 1.00 1.09 C ATOM 923 CG MET A 60 63.031 -6.196 5.829 1.00 1.42 C ATOM 924 SD MET A 60 64.665 -6.938 6.057 1.00 1.89 S ATOM 925 CE MET A 60 64.400 -7.559 7.736 1.00 1.71 C ATOM 0 H MET A 60 61.333 -4.495 7.354 1.00 1.08 H new ATOM 0 HA MET A 60 64.179 -4.798 7.749 1.00 1.09 H new ATOM 0 HB2 MET A 60 62.238 -4.221 5.446 1.00 1.09 H new ATOM 0 HB3 MET A 60 63.959 -4.365 5.149 1.00 1.09 H new ATOM 0 HG2 MET A 60 62.362 -6.512 6.630 1.00 1.42 H new ATOM 0 HG3 MET A 60 62.592 -6.540 4.893 1.00 1.42 H new ATOM 0 HE1 MET A 60 65.333 -7.503 8.296 1.00 1.71 H new ATOM 0 HE2 MET A 60 63.642 -6.953 8.233 1.00 1.71 H new ATOM 0 HE3 MET A 60 64.065 -8.595 7.692 1.00 1.71 H new ATOM 935 N ILE A 61 63.164 -1.770 7.365 1.00 0.91 N ATOM 936 CA ILE A 61 63.652 -0.361 7.346 1.00 0.95 C ATOM 937 C ILE A 61 63.704 0.195 8.772 1.00 0.94 C ATOM 938 O ILE A 61 64.327 1.206 9.033 1.00 1.06 O ATOM 939 CB ILE A 61 62.626 0.398 6.497 1.00 1.03 C ATOM 940 CG1 ILE A 61 62.933 0.175 5.014 1.00 1.35 C ATOM 941 CG2 ILE A 61 62.697 1.895 6.808 1.00 1.55 C ATOM 942 CD1 ILE A 61 61.709 0.548 4.177 1.00 1.56 C ATOM 0 H ILE A 61 62.160 -1.880 7.506 1.00 0.91 H new ATOM 0 HA ILE A 61 64.659 -0.270 6.938 1.00 0.95 H new ATOM 0 HB ILE A 61 61.626 0.030 6.728 1.00 1.03 H new ATOM 0 HG12 ILE A 61 63.789 0.779 4.714 1.00 1.35 H new ATOM 0 HG13 ILE A 61 63.202 -0.867 4.840 1.00 1.35 H new ATOM 0 HG21 ILE A 61 61.965 2.428 6.201 1.00 1.55 H new ATOM 0 HG22 ILE A 61 62.480 2.058 7.864 1.00 1.55 H new ATOM 0 HG23 ILE A 61 63.696 2.267 6.581 1.00 1.55 H new ATOM 0 HD11 ILE A 61 61.928 0.389 3.121 1.00 1.56 H new ATOM 0 HD12 ILE A 61 60.864 -0.075 4.470 1.00 1.56 H new ATOM 0 HD13 ILE A 61 61.461 1.596 4.342 1.00 1.56 H new ATOM 954 N ASP A 62 63.055 -0.459 9.697 1.00 1.09 N ATOM 955 CA ASP A 62 63.068 0.029 11.105 1.00 1.09 C ATOM 956 C ASP A 62 64.348 -0.432 11.807 1.00 1.11 C ATOM 957 O ASP A 62 64.505 -0.272 13.002 1.00 1.24 O ATOM 958 CB ASP A 62 61.840 -0.608 11.755 1.00 1.22 C ATOM 959 CG ASP A 62 61.956 -0.511 13.278 1.00 1.40 C ATOM 960 OD1 ASP A 62 62.037 0.600 13.776 1.00 1.87 O ATOM 961 OD2 ASP A 62 61.962 -1.548 13.920 1.00 1.91 O ATOM 0 H ASP A 62 62.516 -1.310 9.538 1.00 1.09 H new ATOM 0 HA ASP A 62 63.043 1.117 11.168 1.00 1.09 H new ATOM 0 HB2 ASP A 62 60.935 -0.104 11.416 1.00 1.22 H new ATOM 0 HB3 ASP A 62 61.756 -1.652 11.452 1.00 1.22 H new ATOM 966 N GLU A 63 65.263 -1.005 11.075 1.00 1.18 N ATOM 967 CA GLU A 63 66.529 -1.480 11.701 1.00 1.31 C ATOM 968 C GLU A 63 67.734 -0.784 11.062 1.00 1.18 C ATOM 969 O GLU A 63 68.747 -0.570 11.698 1.00 1.41 O ATOM 970 CB GLU A 63 66.567 -2.983 11.422 1.00 1.50 C ATOM 971 CG GLU A 63 65.385 -3.664 12.118 1.00 1.93 C ATOM 972 CD GLU A 63 65.897 -4.733 13.088 1.00 1.91 C ATOM 973 OE1 GLU A 63 67.103 -4.863 13.215 1.00 2.33 O ATOM 974 OE2 GLU A 63 65.072 -5.402 13.688 1.00 2.24 O ATOM 0 H GLU A 63 65.189 -1.165 10.070 1.00 1.18 H new ATOM 0 HA GLU A 63 66.569 -1.261 12.768 1.00 1.31 H new ATOM 0 HB2 GLU A 63 66.524 -3.165 10.348 1.00 1.50 H new ATOM 0 HB3 GLU A 63 67.506 -3.406 11.780 1.00 1.50 H new ATOM 0 HG2 GLU A 63 64.794 -2.924 12.658 1.00 1.93 H new ATOM 0 HG3 GLU A 63 64.728 -4.118 11.377 1.00 1.93 H new ATOM 981 N VAL A 64 67.636 -0.431 9.809 1.00 0.93 N ATOM 982 CA VAL A 64 68.782 0.248 9.138 1.00 0.92 C ATOM 983 C VAL A 64 68.700 1.763 9.355 1.00 0.95 C ATOM 984 O VAL A 64 69.689 2.465 9.278 1.00 1.37 O ATOM 985 CB VAL A 64 68.644 -0.109 7.654 1.00 0.91 C ATOM 986 CG1 VAL A 64 67.600 0.792 6.989 1.00 1.66 C ATOM 987 CG2 VAL A 64 69.994 0.086 6.959 1.00 1.51 C ATOM 0 H VAL A 64 66.815 -0.583 9.223 1.00 0.93 H new ATOM 0 HA VAL A 64 69.746 -0.069 9.536 1.00 0.92 H new ATOM 0 HB VAL A 64 68.326 -1.148 7.566 1.00 0.91 H new ATOM 0 HG11 VAL A 64 67.511 0.529 5.935 1.00 1.66 H new ATOM 0 HG12 VAL A 64 66.636 0.656 7.480 1.00 1.66 H new ATOM 0 HG13 VAL A 64 67.909 1.834 7.078 1.00 1.66 H new ATOM 0 HG21 VAL A 64 69.900 -0.167 5.903 1.00 1.51 H new ATOM 0 HG22 VAL A 64 70.307 1.126 7.056 1.00 1.51 H new ATOM 0 HG23 VAL A 64 70.739 -0.562 7.422 1.00 1.51 H new ATOM 997 N ASP A 65 67.529 2.271 9.628 1.00 0.96 N ATOM 998 CA ASP A 65 67.386 3.739 9.854 1.00 1.02 C ATOM 999 C ASP A 65 68.085 4.141 11.155 1.00 1.06 C ATOM 1000 O ASP A 65 67.867 3.551 12.195 1.00 1.22 O ATOM 1001 CB ASP A 65 65.879 3.978 9.957 1.00 1.24 C ATOM 1002 CG ASP A 65 65.517 5.280 9.240 1.00 1.68 C ATOM 1003 OD1 ASP A 65 66.025 5.496 8.151 1.00 2.50 O ATOM 1004 OD2 ASP A 65 64.737 6.039 9.790 1.00 1.96 O ATOM 0 H ASP A 65 66.665 1.734 9.704 1.00 0.96 H new ATOM 0 HA ASP A 65 67.837 4.328 9.056 1.00 1.02 H new ATOM 0 HB2 ASP A 65 65.337 3.143 9.513 1.00 1.24 H new ATOM 0 HB3 ASP A 65 65.580 4.032 11.004 1.00 1.24 H new ATOM 1009 N GLU A 66 68.924 5.140 11.108 1.00 1.15 N ATOM 1010 CA GLU A 66 69.636 5.573 12.345 1.00 1.37 C ATOM 1011 C GLU A 66 69.403 7.065 12.598 1.00 1.34 C ATOM 1012 O GLU A 66 69.981 7.650 13.492 1.00 1.62 O ATOM 1013 CB GLU A 66 71.114 5.305 12.066 1.00 1.74 C ATOM 1014 CG GLU A 66 71.436 3.843 12.380 1.00 1.95 C ATOM 1015 CD GLU A 66 72.943 3.686 12.583 1.00 2.73 C ATOM 1016 OE1 GLU A 66 73.664 4.617 12.268 1.00 3.39 O ATOM 1017 OE2 GLU A 66 73.351 2.636 13.053 1.00 3.12 O ATOM 0 H GLU A 66 69.147 5.674 10.268 1.00 1.15 H new ATOM 0 HA GLU A 66 69.283 5.042 13.229 1.00 1.37 H new ATOM 0 HB2 GLU A 66 71.343 5.523 11.023 1.00 1.74 H new ATOM 0 HB3 GLU A 66 71.735 5.964 12.673 1.00 1.74 H new ATOM 0 HG2 GLU A 66 70.902 3.526 13.276 1.00 1.95 H new ATOM 0 HG3 GLU A 66 71.099 3.202 11.565 1.00 1.95 H new ATOM 1024 N ASP A 67 68.561 7.684 11.818 1.00 1.42 N ATOM 1025 CA ASP A 67 68.296 9.138 12.016 1.00 1.67 C ATOM 1026 C ASP A 67 66.962 9.339 12.741 1.00 1.70 C ATOM 1027 O ASP A 67 66.638 10.426 13.175 1.00 2.12 O ATOM 1028 CB ASP A 67 68.233 9.725 10.606 1.00 2.50 C ATOM 1029 CG ASP A 67 69.403 9.189 9.777 1.00 3.17 C ATOM 1030 OD1 ASP A 67 70.533 9.352 10.207 1.00 3.83 O ATOM 1031 OD2 ASP A 67 69.148 8.624 8.725 1.00 3.45 O ATOM 0 H ASP A 67 68.046 7.248 11.053 1.00 1.42 H new ATOM 0 HA ASP A 67 69.063 9.618 12.624 1.00 1.67 H new ATOM 0 HB2 ASP A 67 67.287 9.461 10.133 1.00 2.50 H new ATOM 0 HB3 ASP A 67 68.274 10.813 10.651 1.00 2.50 H new ATOM 1036 N GLY A 68 66.186 8.299 12.874 1.00 1.77 N ATOM 1037 CA GLY A 68 64.875 8.431 13.571 1.00 2.43 C ATOM 1038 C GLY A 68 63.943 9.317 12.744 1.00 2.01 C ATOM 1039 O GLY A 68 63.212 10.131 13.274 1.00 2.65 O ATOM 0 H GLY A 68 66.403 7.363 12.530 1.00 1.77 H new ATOM 0 HA2 GLY A 68 64.427 7.448 13.714 1.00 2.43 H new ATOM 0 HA3 GLY A 68 65.020 8.862 14.561 1.00 2.43 H new ATOM 1043 N SER A 69 63.961 9.167 11.447 1.00 1.59 N ATOM 1044 CA SER A 69 63.074 10.003 10.586 1.00 1.99 C ATOM 1045 C SER A 69 61.914 9.160 10.046 1.00 1.42 C ATOM 1046 O SER A 69 60.793 9.618 9.951 1.00 1.97 O ATOM 1047 CB SER A 69 63.968 10.479 9.443 1.00 2.89 C ATOM 1048 OG SER A 69 64.822 9.416 9.042 1.00 3.53 O ATOM 0 H SER A 69 64.551 8.502 10.946 1.00 1.59 H new ATOM 0 HA SER A 69 62.633 10.836 11.133 1.00 1.99 H new ATOM 0 HB2 SER A 69 63.358 10.808 8.602 1.00 2.89 H new ATOM 0 HB3 SER A 69 64.560 11.336 9.762 1.00 2.89 H new ATOM 0 HG SER A 69 65.396 9.717 8.307 1.00 3.53 H new ATOM 1054 N GLY A 70 62.177 7.933 9.690 1.00 1.23 N ATOM 1055 CA GLY A 70 61.092 7.062 9.155 1.00 1.51 C ATOM 1056 C GLY A 70 61.300 6.856 7.654 1.00 1.28 C ATOM 1057 O GLY A 70 60.742 5.957 7.057 1.00 1.42 O ATOM 0 H GLY A 70 63.097 7.495 9.746 1.00 1.23 H new ATOM 0 HA2 GLY A 70 61.095 6.101 9.669 1.00 1.51 H new ATOM 0 HA3 GLY A 70 60.120 7.519 9.339 1.00 1.51 H new ATOM 1061 N THR A 71 62.099 7.685 7.038 1.00 1.12 N ATOM 1062 CA THR A 71 62.344 7.538 5.573 1.00 0.98 C ATOM 1063 C THR A 71 63.763 7.021 5.325 1.00 0.88 C ATOM 1064 O THR A 71 64.645 7.185 6.145 1.00 0.92 O ATOM 1065 CB THR A 71 62.178 8.948 5.004 1.00 1.11 C ATOM 1066 OG1 THR A 71 62.652 9.895 5.950 1.00 1.83 O ATOM 1067 CG2 THR A 71 60.701 9.211 4.711 1.00 1.34 C ATOM 0 H THR A 71 62.593 8.458 7.485 1.00 1.12 H new ATOM 0 HA THR A 71 61.662 6.827 5.107 1.00 0.98 H new ATOM 0 HB THR A 71 62.750 9.038 4.080 1.00 1.11 H new ATOM 0 HG1 THR A 71 62.548 10.800 5.587 1.00 1.83 H new ATOM 0 HG21 THR A 71 60.584 10.216 4.306 1.00 1.34 H new ATOM 0 HG22 THR A 71 60.339 8.483 3.986 1.00 1.34 H new ATOM 0 HG23 THR A 71 60.126 9.122 5.633 1.00 1.34 H new ATOM 1075 N VAL A 72 63.991 6.398 4.201 1.00 0.83 N ATOM 1076 CA VAL A 72 65.356 5.871 3.908 1.00 0.76 C ATOM 1077 C VAL A 72 66.121 6.847 3.013 1.00 0.68 C ATOM 1078 O VAL A 72 65.611 7.326 2.020 1.00 0.72 O ATOM 1079 CB VAL A 72 65.126 4.549 3.177 1.00 0.79 C ATOM 1080 CG1 VAL A 72 66.423 3.738 3.172 1.00 0.87 C ATOM 1081 CG2 VAL A 72 64.032 3.753 3.893 1.00 1.02 C ATOM 0 H VAL A 72 63.295 6.231 3.475 1.00 0.83 H new ATOM 0 HA VAL A 72 65.947 5.739 4.815 1.00 0.76 H new ATOM 0 HB VAL A 72 64.817 4.750 2.151 1.00 0.79 H new ATOM 0 HG11 VAL A 72 66.260 2.795 2.651 1.00 0.87 H new ATOM 0 HG12 VAL A 72 67.204 4.304 2.663 1.00 0.87 H new ATOM 0 HG13 VAL A 72 66.730 3.537 4.198 1.00 0.87 H new ATOM 0 HG21 VAL A 72 63.868 2.810 3.372 1.00 1.02 H new ATOM 0 HG22 VAL A 72 64.341 3.552 4.919 1.00 1.02 H new ATOM 0 HG23 VAL A 72 63.107 4.330 3.899 1.00 1.02 H new ATOM 1091 N ASP A 73 67.345 7.139 3.355 1.00 0.72 N ATOM 1092 CA ASP A 73 68.147 8.077 2.519 1.00 0.76 C ATOM 1093 C ASP A 73 69.060 7.283 1.582 1.00 0.83 C ATOM 1094 O ASP A 73 68.926 6.084 1.442 1.00 1.49 O ATOM 1095 CB ASP A 73 68.975 8.894 3.513 1.00 0.98 C ATOM 1096 CG ASP A 73 69.044 10.348 3.043 1.00 1.30 C ATOM 1097 OD1 ASP A 73 69.156 10.557 1.846 1.00 1.89 O ATOM 1098 OD2 ASP A 73 68.985 11.227 3.887 1.00 1.99 O ATOM 0 H ASP A 73 67.825 6.770 4.176 1.00 0.72 H new ATOM 0 HA ASP A 73 67.522 8.717 1.896 1.00 0.76 H new ATOM 0 HB2 ASP A 73 68.527 8.842 4.505 1.00 0.98 H new ATOM 0 HB3 ASP A 73 69.979 8.479 3.594 1.00 0.98 H new ATOM 1103 N PHE A 74 69.987 7.937 0.941 1.00 0.67 N ATOM 1104 CA PHE A 74 70.900 7.206 0.017 1.00 0.64 C ATOM 1105 C PHE A 74 71.872 6.334 0.817 1.00 0.73 C ATOM 1106 O PHE A 74 72.213 5.240 0.415 1.00 0.87 O ATOM 1107 CB PHE A 74 71.657 8.295 -0.742 1.00 0.79 C ATOM 1108 CG PHE A 74 72.305 7.690 -1.965 1.00 0.86 C ATOM 1109 CD1 PHE A 74 71.544 6.915 -2.847 1.00 1.68 C ATOM 1110 CD2 PHE A 74 73.666 7.905 -2.215 1.00 1.33 C ATOM 1111 CE1 PHE A 74 72.144 6.352 -3.980 1.00 1.78 C ATOM 1112 CE2 PHE A 74 74.265 7.342 -3.348 1.00 1.45 C ATOM 1113 CZ PHE A 74 73.505 6.566 -4.230 1.00 1.20 C ATOM 0 H PHE A 74 70.152 8.941 1.015 1.00 0.67 H new ATOM 0 HA PHE A 74 70.359 6.543 -0.658 1.00 0.64 H new ATOM 0 HB2 PHE A 74 70.974 9.093 -1.035 1.00 0.79 H new ATOM 0 HB3 PHE A 74 72.414 8.744 -0.099 1.00 0.79 H new ATOM 0 HD1 PHE A 74 70.494 6.751 -2.654 1.00 1.68 H new ATOM 0 HD2 PHE A 74 74.253 8.504 -1.535 1.00 1.33 H new ATOM 0 HE1 PHE A 74 71.557 5.753 -4.661 1.00 1.78 H new ATOM 0 HE2 PHE A 74 75.315 7.507 -3.542 1.00 1.45 H new ATOM 0 HZ PHE A 74 73.968 6.132 -5.104 1.00 1.20 H new ATOM 1123 N ASP A 75 72.315 6.809 1.949 1.00 0.94 N ATOM 1124 CA ASP A 75 73.262 6.002 2.774 1.00 1.11 C ATOM 1125 C ASP A 75 72.525 4.825 3.417 1.00 0.90 C ATOM 1126 O ASP A 75 73.006 3.709 3.427 1.00 0.94 O ATOM 1127 CB ASP A 75 73.774 6.964 3.847 1.00 1.45 C ATOM 1128 CG ASP A 75 74.760 6.232 4.760 1.00 2.16 C ATOM 1129 OD1 ASP A 75 75.004 5.061 4.518 1.00 2.78 O ATOM 1130 OD2 ASP A 75 75.253 6.854 5.686 1.00 2.66 O ATOM 0 H ASP A 75 72.064 7.718 2.338 1.00 0.94 H new ATOM 0 HA ASP A 75 74.076 5.585 2.181 1.00 1.11 H new ATOM 0 HB2 ASP A 75 74.261 7.820 3.380 1.00 1.45 H new ATOM 0 HB3 ASP A 75 72.939 7.351 4.431 1.00 1.45 H new ATOM 1135 N GLU A 76 71.359 5.065 3.950 1.00 0.81 N ATOM 1136 CA GLU A 76 70.589 3.960 4.590 1.00 0.76 C ATOM 1137 C GLU A 76 70.028 3.021 3.520 1.00 0.62 C ATOM 1138 O GLU A 76 70.138 1.815 3.617 1.00 0.61 O ATOM 1139 CB GLU A 76 69.450 4.652 5.340 1.00 0.93 C ATOM 1140 CG GLU A 76 70.021 5.464 6.504 1.00 1.09 C ATOM 1141 CD GLU A 76 68.957 6.436 7.018 1.00 1.59 C ATOM 1142 OE1 GLU A 76 68.690 7.408 6.330 1.00 2.25 O ATOM 1143 OE2 GLU A 76 68.427 6.191 8.089 1.00 1.93 O ATOM 0 H GLU A 76 70.905 5.978 3.970 1.00 0.81 H new ATOM 0 HA GLU A 76 71.208 3.357 5.254 1.00 0.76 H new ATOM 0 HB2 GLU A 76 68.899 5.305 4.663 1.00 0.93 H new ATOM 0 HB3 GLU A 76 68.743 3.911 5.713 1.00 0.93 H new ATOM 0 HG2 GLU A 76 70.337 4.797 7.306 1.00 1.09 H new ATOM 0 HG3 GLU A 76 70.904 6.014 6.179 1.00 1.09 H new ATOM 1150 N PHE A 77 69.425 3.568 2.501 1.00 0.59 N ATOM 1151 CA PHE A 77 68.853 2.711 1.422 1.00 0.57 C ATOM 1152 C PHE A 77 69.827 1.589 1.054 1.00 0.59 C ATOM 1153 O PHE A 77 69.453 0.437 0.948 1.00 0.71 O ATOM 1154 CB PHE A 77 68.657 3.654 0.235 1.00 0.62 C ATOM 1155 CG PHE A 77 68.106 2.878 -0.938 1.00 0.72 C ATOM 1156 CD1 PHE A 77 66.784 2.419 -0.915 1.00 1.42 C ATOM 1157 CD2 PHE A 77 68.917 2.617 -2.049 1.00 1.51 C ATOM 1158 CE1 PHE A 77 66.272 1.699 -2.001 1.00 1.60 C ATOM 1159 CE2 PHE A 77 68.407 1.897 -3.136 1.00 1.76 C ATOM 1160 CZ PHE A 77 67.083 1.438 -3.112 1.00 1.37 C ATOM 0 H PHE A 77 69.303 4.572 2.368 1.00 0.59 H new ATOM 0 HA PHE A 77 67.923 2.233 1.729 1.00 0.57 H new ATOM 0 HB2 PHE A 77 67.974 4.459 0.505 1.00 0.62 H new ATOM 0 HB3 PHE A 77 69.606 4.118 -0.035 1.00 0.62 H new ATOM 0 HD1 PHE A 77 66.158 2.621 -0.058 1.00 1.42 H new ATOM 0 HD2 PHE A 77 69.937 2.971 -2.068 1.00 1.51 H new ATOM 0 HE1 PHE A 77 65.252 1.345 -1.982 1.00 1.60 H new ATOM 0 HE2 PHE A 77 69.033 1.695 -3.992 1.00 1.76 H new ATOM 0 HZ PHE A 77 66.688 0.883 -3.950 1.00 1.37 H new ATOM 1170 N LEU A 78 71.073 1.917 0.847 1.00 0.57 N ATOM 1171 CA LEU A 78 72.070 0.870 0.474 1.00 0.62 C ATOM 1172 C LEU A 78 72.230 -0.153 1.602 1.00 0.61 C ATOM 1173 O LEU A 78 72.134 -1.344 1.386 1.00 0.68 O ATOM 1174 CB LEU A 78 73.374 1.633 0.245 1.00 0.66 C ATOM 1175 CG LEU A 78 73.454 2.069 -1.217 1.00 0.73 C ATOM 1176 CD1 LEU A 78 74.277 3.355 -1.323 1.00 1.10 C ATOM 1177 CD2 LEU A 78 74.122 0.964 -2.040 1.00 1.34 C ATOM 0 H LEU A 78 71.445 2.864 0.920 1.00 0.57 H new ATOM 0 HA LEU A 78 71.764 0.308 -0.409 1.00 0.62 H new ATOM 0 HB2 LEU A 78 73.419 2.504 0.899 1.00 0.66 H new ATOM 0 HB3 LEU A 78 74.227 1.002 0.495 1.00 0.66 H new ATOM 0 HG LEU A 78 72.449 2.251 -1.599 1.00 0.73 H new ATOM 0 HD11 LEU A 78 74.334 3.666 -2.366 1.00 1.10 H new ATOM 0 HD12 LEU A 78 73.802 4.141 -0.736 1.00 1.10 H new ATOM 0 HD13 LEU A 78 75.283 3.176 -0.943 1.00 1.10 H new ATOM 0 HD21 LEU A 78 74.180 1.273 -3.084 1.00 1.34 H new ATOM 0 HD22 LEU A 78 75.127 0.783 -1.658 1.00 1.34 H new ATOM 0 HD23 LEU A 78 73.535 0.049 -1.965 1.00 1.34 H new ATOM 1189 N VAL A 79 72.475 0.296 2.804 1.00 0.64 N ATOM 1190 CA VAL A 79 72.637 -0.666 3.932 1.00 0.68 C ATOM 1191 C VAL A 79 71.500 -1.689 3.903 1.00 0.78 C ATOM 1192 O VAL A 79 71.714 -2.875 4.056 1.00 0.92 O ATOM 1193 CB VAL A 79 72.565 0.184 5.200 1.00 0.73 C ATOM 1194 CG1 VAL A 79 72.861 -0.692 6.418 1.00 1.15 C ATOM 1195 CG2 VAL A 79 73.602 1.307 5.118 1.00 0.91 C ATOM 0 H VAL A 79 72.569 1.281 3.053 1.00 0.64 H new ATOM 0 HA VAL A 79 73.574 -1.221 3.875 1.00 0.68 H new ATOM 0 HB VAL A 79 71.568 0.614 5.294 1.00 0.73 H new ATOM 0 HG11 VAL A 79 72.810 -0.086 7.323 1.00 1.15 H new ATOM 0 HG12 VAL A 79 72.126 -1.494 6.476 1.00 1.15 H new ATOM 0 HG13 VAL A 79 73.859 -1.120 6.324 1.00 1.15 H new ATOM 0 HG21 VAL A 79 73.552 1.915 6.022 1.00 0.91 H new ATOM 0 HG22 VAL A 79 74.599 0.876 5.025 1.00 0.91 H new ATOM 0 HG23 VAL A 79 73.394 1.931 4.249 1.00 0.91 H new ATOM 1205 N MET A 80 70.291 -1.240 3.699 1.00 0.82 N ATOM 1206 CA MET A 80 69.146 -2.191 3.648 1.00 0.93 C ATOM 1207 C MET A 80 69.435 -3.284 2.617 1.00 0.92 C ATOM 1208 O MET A 80 69.199 -4.452 2.850 1.00 0.99 O ATOM 1209 CB MET A 80 67.945 -1.347 3.219 1.00 1.04 C ATOM 1210 CG MET A 80 66.938 -1.273 4.368 1.00 1.05 C ATOM 1211 SD MET A 80 65.520 -2.336 4.000 1.00 1.64 S ATOM 1212 CE MET A 80 64.882 -1.387 2.597 1.00 1.27 C ATOM 0 H MET A 80 70.048 -0.258 3.566 1.00 0.82 H new ATOM 0 HA MET A 80 68.967 -2.685 4.603 1.00 0.93 H new ATOM 0 HB2 MET A 80 68.272 -0.345 2.942 1.00 1.04 H new ATOM 0 HB3 MET A 80 67.476 -1.784 2.338 1.00 1.04 H new ATOM 0 HG2 MET A 80 67.409 -1.587 5.299 1.00 1.05 H new ATOM 0 HG3 MET A 80 66.607 -0.244 4.510 1.00 1.05 H new ATOM 0 HE1 MET A 80 63.793 -1.373 2.633 1.00 1.27 H new ATOM 0 HE2 MET A 80 65.260 -0.366 2.646 1.00 1.27 H new ATOM 0 HE3 MET A 80 65.209 -1.850 1.666 1.00 1.27 H new ATOM 1222 N MET A 81 69.956 -2.909 1.481 1.00 0.86 N ATOM 1223 CA MET A 81 70.275 -3.920 0.435 1.00 0.88 C ATOM 1224 C MET A 81 71.338 -4.887 0.962 1.00 0.90 C ATOM 1225 O MET A 81 71.093 -6.064 1.130 1.00 1.04 O ATOM 1226 CB MET A 81 70.824 -3.108 -0.739 1.00 0.86 C ATOM 1227 CG MET A 81 69.712 -2.876 -1.763 1.00 0.97 C ATOM 1228 SD MET A 81 68.806 -1.368 -1.337 1.00 1.31 S ATOM 1229 CE MET A 81 67.493 -1.534 -2.572 1.00 0.93 C ATOM 0 H MET A 81 70.175 -1.944 1.232 1.00 0.86 H new ATOM 0 HA MET A 81 69.409 -4.516 0.147 1.00 0.88 H new ATOM 0 HB2 MET A 81 71.212 -2.153 -0.385 1.00 0.86 H new ATOM 0 HB3 MET A 81 71.656 -3.637 -1.203 1.00 0.86 H new ATOM 0 HG2 MET A 81 70.136 -2.788 -2.763 1.00 0.97 H new ATOM 0 HG3 MET A 81 69.033 -3.729 -1.779 1.00 0.97 H new ATOM 0 HE1 MET A 81 66.540 -1.238 -2.132 1.00 0.93 H new ATOM 0 HE2 MET A 81 67.713 -0.893 -3.426 1.00 0.93 H new ATOM 0 HE3 MET A 81 67.433 -2.571 -2.903 1.00 0.93 H new ATOM 1239 N VAL A 82 72.514 -4.391 1.230 1.00 0.81 N ATOM 1240 CA VAL A 82 73.596 -5.272 1.753 1.00 0.87 C ATOM 1241 C VAL A 82 73.106 -6.028 2.991 1.00 0.93 C ATOM 1242 O VAL A 82 73.597 -7.090 3.317 1.00 1.06 O ATOM 1243 CB VAL A 82 74.736 -4.321 2.121 1.00 0.86 C ATOM 1244 CG1 VAL A 82 74.226 -3.262 3.099 1.00 1.12 C ATOM 1245 CG2 VAL A 82 75.865 -5.107 2.784 1.00 1.38 C ATOM 0 H VAL A 82 72.773 -3.412 1.109 1.00 0.81 H new ATOM 0 HA VAL A 82 73.909 -6.021 1.026 1.00 0.87 H new ATOM 0 HB VAL A 82 75.105 -3.839 1.216 1.00 0.86 H new ATOM 0 HG11 VAL A 82 75.040 -2.586 3.360 1.00 1.12 H new ATOM 0 HG12 VAL A 82 73.419 -2.696 2.634 1.00 1.12 H new ATOM 0 HG13 VAL A 82 73.855 -3.748 4.001 1.00 1.12 H new ATOM 0 HG21 VAL A 82 76.676 -4.428 3.046 1.00 1.38 H new ATOM 0 HG22 VAL A 82 75.491 -5.590 3.687 1.00 1.38 H new ATOM 0 HG23 VAL A 82 76.235 -5.865 2.094 1.00 1.38 H new ATOM 1255 N ARG A 83 72.139 -5.488 3.683 1.00 0.92 N ATOM 1256 CA ARG A 83 71.615 -6.177 4.898 1.00 1.06 C ATOM 1257 C ARG A 83 70.921 -7.482 4.504 1.00 1.17 C ATOM 1258 O ARG A 83 71.415 -8.561 4.759 1.00 1.35 O ATOM 1259 CB ARG A 83 70.611 -5.197 5.507 1.00 1.12 C ATOM 1260 CG ARG A 83 71.307 -4.347 6.571 1.00 1.21 C ATOM 1261 CD ARG A 83 70.269 -3.828 7.568 1.00 1.42 C ATOM 1262 NE ARG A 83 71.038 -2.969 8.511 1.00 1.54 N ATOM 1263 CZ ARG A 83 70.933 -3.157 9.797 1.00 1.90 C ATOM 1264 NH1 ARG A 83 70.784 -4.365 10.270 1.00 1.93 N ATOM 1265 NH2 ARG A 83 70.979 -2.138 10.611 1.00 2.73 N ATOM 0 H ARG A 83 71.689 -4.600 3.460 1.00 0.92 H new ATOM 0 HA ARG A 83 72.406 -6.437 5.601 1.00 1.06 H new ATOM 0 HB2 ARG A 83 70.195 -4.556 4.729 1.00 1.12 H new ATOM 0 HB3 ARG A 83 69.778 -5.742 5.950 1.00 1.12 H new ATOM 0 HG2 ARG A 83 72.061 -4.940 7.090 1.00 1.21 H new ATOM 0 HG3 ARG A 83 71.826 -3.511 6.102 1.00 1.21 H new ATOM 0 HD2 ARG A 83 69.487 -3.260 7.064 1.00 1.42 H new ATOM 0 HD3 ARG A 83 69.779 -4.649 8.092 1.00 1.42 H new ATOM 0 HE ARG A 83 71.647 -2.234 8.151 1.00 1.54 H new ATOM 0 HH11 ARG A 83 70.750 -5.161 9.633 1.00 1.93 H new ATOM 0 HH12 ARG A 83 70.702 -4.512 11.276 1.00 1.93 H new ATOM 0 HH21 ARG A 83 71.097 -1.195 10.241 1.00 2.73 H new ATOM 0 HH22 ARG A 83 70.897 -2.285 11.617 1.00 2.73 H new ATOM 1279 N CYS A 84 69.776 -7.391 3.882 1.00 1.21 N ATOM 1280 CA CYS A 84 69.053 -8.629 3.470 1.00 1.46 C ATOM 1281 C CYS A 84 69.815 -9.332 2.345 1.00 1.52 C ATOM 1282 O CYS A 84 69.471 -10.423 1.937 1.00 1.97 O ATOM 1283 CB CYS A 84 67.689 -8.145 2.978 1.00 1.72 C ATOM 1284 SG CYS A 84 66.643 -9.574 2.606 1.00 2.58 S ATOM 0 H CYS A 84 69.311 -6.515 3.642 1.00 1.21 H new ATOM 0 HA CYS A 84 68.959 -9.346 4.285 1.00 1.46 H new ATOM 0 HB2 CYS A 84 67.216 -7.522 3.737 1.00 1.72 H new ATOM 0 HB3 CYS A 84 67.809 -7.527 2.088 1.00 1.72 H new ATOM 0 HG CYS A 84 67.372 -10.526 2.102 1.00 2.58 H new ATOM 1290 N MET A 85 70.850 -8.715 1.841 1.00 1.31 N ATOM 1291 CA MET A 85 71.634 -9.350 0.743 1.00 1.51 C ATOM 1292 C MET A 85 72.310 -10.624 1.253 1.00 1.66 C ATOM 1293 O MET A 85 71.976 -11.720 0.849 1.00 2.46 O ATOM 1294 CB MET A 85 72.680 -8.307 0.349 1.00 1.47 C ATOM 1295 CG MET A 85 72.368 -7.772 -1.051 1.00 1.57 C ATOM 1296 SD MET A 85 73.866 -7.049 -1.768 1.00 1.89 S ATOM 1297 CE MET A 85 73.167 -5.430 -2.172 1.00 1.57 C ATOM 0 H MET A 85 71.186 -7.800 2.142 1.00 1.31 H new ATOM 0 HA MET A 85 71.009 -9.637 -0.103 1.00 1.51 H new ATOM 0 HB2 MET A 85 72.683 -7.489 1.070 1.00 1.47 H new ATOM 0 HB3 MET A 85 73.675 -8.751 0.367 1.00 1.47 H new ATOM 0 HG2 MET A 85 72.000 -8.578 -1.686 1.00 1.57 H new ATOM 0 HG3 MET A 85 71.579 -7.022 -0.998 1.00 1.57 H new ATOM 0 HE1 MET A 85 73.531 -5.110 -3.148 1.00 1.57 H new ATOM 0 HE2 MET A 85 72.079 -5.499 -2.195 1.00 1.57 H new ATOM 0 HE3 MET A 85 73.469 -4.705 -1.417 1.00 1.57 H new