USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 837 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 78 GLN : amide:sc= -2.21! C(o=-1.4!,f=-3.7!) USER MOD Set 1.2: A 85 LYS NZ :NH3+ 143:sc= 0.852 (180deg=0.405) USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0.0942 USER MOD Set 2.2: A 36 LYS NZ :NH3+ 161:sc= 0.0556 (180deg=-0.451) USER MOD Single : A 3 LYS NZ :NH3+ -157:sc= -0.0746 (180deg=-0.728) USER MOD Single : A 4 GLN : amide:sc= 0.0025 K(o=0.0025,f=-1.7!) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0801 USER MOD Single : A 8 LYS NZ :NH3+ -136:sc= -4.99! (180deg=-7.47!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.14) USER MOD Single : A 21 LYS NZ :NH3+ 164:sc= -0.019 (180deg=-0.306) USER MOD Single : A 28 SER OG : rot 136:sc= 0.074 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -139:sc= 0.769 (180deg=0.0883) USER MOD Single : A 43 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.021) USER MOD Single : A 44 SER OG : rot 67:sc= 0.76 USER MOD Single : A 46 SER OG : rot 93:sc= 0.0949 USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= -0.0307 (180deg=-0.504) USER MOD Single : A 49 TYR OH : rot 150:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.3) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 67 SER OG : rot -30:sc= 0.742 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.705 USER MOD Single : A 76 THR OG1 : rot 101:sc= 0.338 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.466 X(o=-0.47,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -4.73! K(o=-4.7!,f=-2.9) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00233) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.506 K(o=-0.51,f=-2.3!) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc= -2.05! K(o=-2!,f=-0.05) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.567 -2.367 8.912 1.00 0.20 N ATOM 37 CA LYS A 3 -1.572 -3.397 9.348 1.00 0.18 C ATOM 38 C LYS A 3 -0.197 -3.017 8.798 1.00 0.15 C ATOM 39 O LYS A 3 -0.042 -2.749 7.623 1.00 0.16 O ATOM 40 CB LYS A 3 -1.988 -4.754 8.766 1.00 0.19 C ATOM 41 CG LYS A 3 -1.083 -5.883 9.300 1.00 0.20 C ATOM 42 CD LYS A 3 -1.592 -6.362 10.665 1.00 0.81 C ATOM 43 CE LYS A 3 -0.765 -7.560 11.139 1.00 1.03 C ATOM 44 NZ LYS A 3 -0.907 -8.684 10.169 1.00 1.67 N ATOM 0 HA LYS A 3 -1.533 -3.452 10.436 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -3.026 -4.962 9.024 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.931 -4.720 7.678 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -1.071 -6.714 8.595 1.00 0.20 H new ATOM 0 HG3 LYS A 3 -0.057 -5.526 9.390 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -1.525 -5.553 11.392 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.643 -6.640 10.593 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.284 -7.277 11.231 1.00 1.03 H new ATOM 0 HE3 LYS A 3 -1.098 -7.876 12.128 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 -0.694 -9.583 10.646 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 -1.881 -8.708 9.805 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -0.245 -8.546 9.378 1.00 1.67 H new ATOM 58 N GLN A 4 0.801 -3.003 9.638 1.00 0.15 N ATOM 59 CA GLN A 4 2.174 -2.650 9.170 1.00 0.14 C ATOM 60 C GLN A 4 2.948 -3.937 8.895 1.00 0.12 C ATOM 61 O GLN A 4 3.095 -4.784 9.754 1.00 0.13 O ATOM 62 CB GLN A 4 2.880 -1.842 10.266 1.00 0.16 C ATOM 63 CG GLN A 4 4.277 -1.414 9.798 1.00 0.17 C ATOM 64 CD GLN A 4 4.987 -0.695 10.948 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.433 -0.551 12.020 1.00 0.29 O ATOM 66 NE2 GLN A 4 6.192 -0.229 10.772 1.00 0.31 N ATOM 0 H GLN A 4 0.726 -3.221 10.632 1.00 0.15 H new ATOM 0 HA GLN A 4 2.123 -2.056 8.258 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.288 -0.962 10.517 1.00 0.16 H new ATOM 0 HB3 GLN A 4 2.961 -2.441 11.173 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.853 -2.285 9.485 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.199 -0.756 8.933 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.659 -0.349 9.873 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.668 0.255 11.533 1.00 0.31 H new ATOM 75 N ILE A 5 3.456 -4.081 7.702 1.00 0.10 N ATOM 76 CA ILE A 5 4.238 -5.299 7.349 1.00 0.10 C ATOM 77 C ILE A 5 5.722 -4.939 7.384 1.00 0.10 C ATOM 78 O ILE A 5 6.183 -4.124 6.612 1.00 0.11 O ATOM 79 CB ILE A 5 3.864 -5.731 5.937 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.334 -5.840 5.808 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.514 -7.072 5.619 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.769 -6.770 6.888 1.00 0.19 C ATOM 0 H ILE A 5 3.361 -3.399 6.949 1.00 0.10 H new ATOM 0 HA ILE A 5 4.027 -6.107 8.049 1.00 0.10 H new ATOM 0 HB ILE A 5 4.224 -4.985 5.228 1.00 0.11 H new ATOM 0 HG12 ILE A 5 1.884 -4.851 5.899 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.073 -6.219 4.820 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.244 -7.377 4.608 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.597 -6.978 5.692 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.167 -7.822 6.329 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.686 -6.835 6.782 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.205 -7.763 6.778 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.014 -6.374 7.874 1.00 0.19 H new ATOM 94 N GLU A 6 6.473 -5.533 8.274 1.00 0.11 N ATOM 95 CA GLU A 6 7.931 -5.213 8.359 1.00 0.13 C ATOM 96 C GLU A 6 8.739 -6.299 7.640 1.00 0.12 C ATOM 97 O GLU A 6 9.951 -6.248 7.589 1.00 0.13 O ATOM 98 CB GLU A 6 8.343 -5.161 9.831 1.00 0.15 C ATOM 99 CG GLU A 6 7.535 -4.076 10.554 1.00 0.17 C ATOM 100 CD GLU A 6 8.024 -2.689 10.137 1.00 1.45 C ATOM 101 OE1 GLU A 6 9.026 -2.249 10.677 1.00 2.25 O ATOM 102 OE2 GLU A 6 7.388 -2.088 9.286 1.00 2.25 O ATOM 0 H GLU A 6 6.141 -6.225 8.946 1.00 0.11 H new ATOM 0 HA GLU A 6 8.125 -4.250 7.886 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.172 -6.129 10.301 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.409 -4.950 9.913 1.00 0.15 H new ATOM 0 HG2 GLU A 6 6.476 -4.183 10.318 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.635 -4.196 11.633 1.00 0.17 H new ATOM 109 N SER A 7 8.078 -7.287 7.087 1.00 0.12 N ATOM 110 CA SER A 7 8.819 -8.375 6.376 1.00 0.13 C ATOM 111 C SER A 7 7.954 -8.998 5.277 1.00 0.12 C ATOM 112 O SER A 7 6.741 -9.006 5.343 1.00 0.12 O ATOM 113 CB SER A 7 9.187 -9.467 7.379 1.00 0.15 C ATOM 114 OG SER A 7 7.997 -9.990 7.952 1.00 0.15 O ATOM 0 H SER A 7 7.063 -7.387 7.097 1.00 0.12 H new ATOM 0 HA SER A 7 9.713 -7.945 5.924 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.746 -10.260 6.883 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.833 -9.061 8.158 1.00 0.15 H new ATOM 0 HG SER A 7 8.225 -10.693 8.596 1.00 0.15 H new ATOM 120 N LYS A 8 8.594 -9.566 4.291 1.00 0.14 N ATOM 121 CA LYS A 8 7.870 -10.250 3.180 1.00 0.15 C ATOM 122 C LYS A 8 7.150 -11.453 3.767 1.00 0.15 C ATOM 123 O LYS A 8 6.086 -11.839 3.325 1.00 0.16 O ATOM 124 CB LYS A 8 8.899 -10.714 2.146 1.00 0.18 C ATOM 125 CG LYS A 8 8.219 -11.224 0.872 1.00 0.21 C ATOM 126 CD LYS A 8 9.277 -11.431 -0.229 1.00 0.43 C ATOM 127 CE LYS A 8 10.450 -12.268 0.300 1.00 0.80 C ATOM 128 NZ LYS A 8 11.333 -11.422 1.155 1.00 1.65 N ATOM 0 H LYS A 8 9.610 -9.585 4.207 1.00 0.14 H new ATOM 0 HA LYS A 8 7.153 -9.583 2.702 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.566 -9.888 1.899 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.515 -11.505 2.573 1.00 0.18 H new ATOM 0 HG2 LYS A 8 7.701 -12.162 1.074 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.466 -10.510 0.538 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.825 -11.930 -1.086 1.00 0.43 H new ATOM 0 HD3 LYS A 8 9.641 -10.464 -0.578 1.00 0.43 H new ATOM 0 HE2 LYS A 8 10.074 -13.114 0.876 1.00 0.80 H new ATOM 0 HE3 LYS A 8 11.021 -12.678 -0.533 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 12.328 -11.609 0.918 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 11.120 -10.418 0.987 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 11.167 -11.648 2.156 1.00 1.65 H new ATOM 142 N THR A 9 7.734 -12.049 4.768 1.00 0.15 N ATOM 143 CA THR A 9 7.097 -13.236 5.390 1.00 0.17 C ATOM 144 C THR A 9 5.718 -12.827 5.895 1.00 0.16 C ATOM 145 O THR A 9 4.732 -13.491 5.652 1.00 0.17 O ATOM 146 CB THR A 9 7.960 -13.717 6.561 1.00 0.19 C ATOM 147 OG1 THR A 9 9.284 -13.949 6.102 1.00 0.22 O ATOM 148 CG2 THR A 9 7.387 -15.014 7.135 1.00 0.23 C ATOM 0 H THR A 9 8.623 -11.764 5.180 1.00 0.15 H new ATOM 0 HA THR A 9 7.003 -14.044 4.665 1.00 0.17 H new ATOM 0 HB THR A 9 7.966 -12.954 7.340 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.840 -14.255 6.849 1.00 0.22 H new ATOM 0 HG21 THR A 9 8.007 -15.349 7.967 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.371 -14.838 7.487 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.375 -15.781 6.360 1.00 0.23 H new ATOM 156 N ALA A 10 5.639 -11.721 6.577 1.00 0.15 N ATOM 157 CA ALA A 10 4.320 -11.247 7.072 1.00 0.15 C ATOM 158 C ALA A 10 3.475 -10.804 5.878 1.00 0.14 C ATOM 159 O ALA A 10 2.268 -10.917 5.882 1.00 0.15 O ATOM 160 CB ALA A 10 4.521 -10.077 8.044 1.00 0.17 C ATOM 0 H ALA A 10 6.432 -11.124 6.813 1.00 0.15 H new ATOM 0 HA ALA A 10 3.809 -12.052 7.600 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.552 -9.733 8.404 1.00 0.17 H new ATOM 0 HB2 ALA A 10 5.126 -10.406 8.889 1.00 0.17 H new ATOM 0 HB3 ALA A 10 5.028 -9.260 7.530 1.00 0.17 H new ATOM 166 N PHE A 11 4.101 -10.299 4.851 1.00 0.14 N ATOM 167 CA PHE A 11 3.327 -9.847 3.663 1.00 0.13 C ATOM 168 C PHE A 11 2.554 -11.025 3.094 1.00 0.14 C ATOM 169 O PHE A 11 1.396 -10.913 2.745 1.00 0.14 O ATOM 170 CB PHE A 11 4.306 -9.336 2.595 1.00 0.14 C ATOM 171 CG PHE A 11 3.541 -8.666 1.475 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.843 -7.478 1.719 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.534 -9.229 0.191 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.135 -6.860 0.684 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.829 -8.607 -0.841 1.00 0.14 C ATOM 176 CZ PHE A 11 2.128 -7.425 -0.595 1.00 0.14 C ATOM 0 H PHE A 11 5.112 -10.180 4.784 1.00 0.14 H new ATOM 0 HA PHE A 11 2.637 -9.054 3.951 1.00 0.13 H new ATOM 0 HB2 PHE A 11 5.008 -8.631 3.040 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.893 -10.165 2.201 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.851 -7.039 2.706 1.00 0.14 H new ATOM 0 HD2 PHE A 11 4.074 -10.144 0.000 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.593 -5.945 0.873 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.826 -9.040 -1.830 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.580 -6.947 -1.393 1.00 0.14 H new ATOM 186 N GLN A 12 3.184 -12.156 2.998 1.00 0.14 N ATOM 187 CA GLN A 12 2.481 -13.343 2.444 1.00 0.16 C ATOM 188 C GLN A 12 1.327 -13.720 3.387 1.00 0.15 C ATOM 189 O GLN A 12 0.222 -13.988 2.960 1.00 0.16 O ATOM 190 CB GLN A 12 3.481 -14.502 2.376 1.00 0.18 C ATOM 191 CG GLN A 12 4.610 -14.163 1.396 1.00 0.17 C ATOM 192 CD GLN A 12 4.047 -14.020 -0.019 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.504 -14.959 -0.566 1.00 1.12 O ATOM 194 NE2 GLN A 12 4.155 -12.878 -0.639 1.00 1.31 N ATOM 0 H GLN A 12 4.152 -12.312 3.278 1.00 0.14 H new ATOM 0 HA GLN A 12 2.086 -13.129 1.451 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.894 -14.696 3.366 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.974 -15.413 2.058 1.00 0.18 H new ATOM 0 HG2 GLN A 12 5.099 -13.237 1.697 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.369 -14.945 1.417 1.00 0.17 H new ATOM 0 HE21 GLN A 12 4.611 -12.090 -0.180 1.00 1.31 H new ATOM 0 HE22 GLN A 12 3.784 -12.773 -1.583 1.00 1.31 H new ATOM 203 N GLU A 13 1.583 -13.716 4.670 1.00 0.16 N ATOM 204 CA GLU A 13 0.524 -14.053 5.672 1.00 0.17 C ATOM 205 C GLU A 13 -0.613 -13.030 5.623 1.00 0.15 C ATOM 206 O GLU A 13 -1.775 -13.373 5.723 1.00 0.16 O ATOM 207 CB GLU A 13 1.160 -14.065 7.072 1.00 0.19 C ATOM 208 CG GLU A 13 1.889 -15.395 7.314 1.00 0.28 C ATOM 209 CD GLU A 13 3.003 -15.588 6.281 1.00 0.95 C ATOM 210 OE1 GLU A 13 2.682 -15.804 5.123 1.00 1.67 O ATOM 211 OE2 GLU A 13 4.157 -15.533 6.670 1.00 1.77 O ATOM 0 H GLU A 13 2.493 -13.491 5.072 1.00 0.16 H new ATOM 0 HA GLU A 13 0.106 -15.033 5.441 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.861 -13.236 7.168 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.390 -13.921 7.830 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.310 -15.409 8.319 1.00 0.28 H new ATOM 0 HG3 GLU A 13 1.181 -16.222 7.254 1.00 0.28 H new ATOM 218 N ALA A 14 -0.288 -11.777 5.490 1.00 0.15 N ATOM 219 CA ALA A 14 -1.345 -10.731 5.454 1.00 0.14 C ATOM 220 C ALA A 14 -2.206 -10.928 4.212 1.00 0.13 C ATOM 221 O ALA A 14 -3.417 -10.830 4.260 1.00 0.13 O ATOM 222 CB ALA A 14 -0.689 -9.351 5.415 1.00 0.15 C ATOM 0 H ALA A 14 0.667 -11.430 5.404 1.00 0.15 H new ATOM 0 HA ALA A 14 -1.971 -10.808 6.343 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.461 -8.582 5.389 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.072 -9.216 6.304 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.065 -9.270 4.525 1.00 0.15 H new ATOM 228 N LEU A 15 -1.600 -11.217 3.100 1.00 0.12 N ATOM 229 CA LEU A 15 -2.396 -11.436 1.871 1.00 0.12 C ATOM 230 C LEU A 15 -3.347 -12.598 2.115 1.00 0.13 C ATOM 231 O LEU A 15 -4.488 -12.584 1.702 1.00 0.13 O ATOM 232 CB LEU A 15 -1.464 -11.776 0.711 1.00 0.13 C ATOM 233 CG LEU A 15 -0.658 -10.538 0.305 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.409 -10.944 -0.720 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.583 -9.460 -0.303 1.00 0.17 C ATOM 0 H LEU A 15 -0.590 -11.311 2.990 1.00 0.12 H new ATOM 0 HA LEU A 15 -2.958 -10.535 1.623 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -0.788 -12.581 1.001 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.044 -12.137 -0.138 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.180 -10.121 1.191 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.985 -10.066 -1.012 1.00 0.17 H new ATOM 0 HD12 LEU A 15 1.075 -11.685 -0.278 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.074 -11.370 -1.599 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -0.991 -8.589 -0.585 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.079 -9.862 -1.186 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.332 -9.167 0.432 1.00 0.17 H new ATOM 247 N ASP A 16 -2.877 -13.610 2.788 1.00 0.13 N ATOM 248 CA ASP A 16 -3.739 -14.784 3.064 1.00 0.15 C ATOM 249 C ASP A 16 -4.843 -14.416 4.063 1.00 0.15 C ATOM 250 O ASP A 16 -5.942 -14.929 3.999 1.00 0.16 O ATOM 251 CB ASP A 16 -2.889 -15.915 3.646 1.00 0.17 C ATOM 252 CG ASP A 16 -3.686 -17.221 3.593 1.00 0.19 C ATOM 253 OD1 ASP A 16 -3.896 -17.716 2.498 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.071 -17.700 4.646 1.00 1.07 O ATOM 0 H ASP A 16 -1.929 -13.672 3.159 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.200 -15.107 2.130 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -1.962 -16.017 3.081 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.612 -15.685 4.675 1.00 0.17 H new ATOM 259 N ALA A 17 -4.552 -13.553 4.999 1.00 0.15 N ATOM 260 CA ALA A 17 -5.579 -13.172 6.015 1.00 0.16 C ATOM 261 C ALA A 17 -6.708 -12.366 5.364 1.00 0.15 C ATOM 262 O ALA A 17 -7.864 -12.511 5.709 1.00 0.17 O ATOM 263 CB ALA A 17 -4.916 -12.330 7.105 1.00 0.18 C ATOM 0 H ALA A 17 -3.647 -13.094 5.105 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.003 -14.078 6.447 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.660 -12.048 7.850 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.126 -12.910 7.582 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.489 -11.431 6.661 1.00 0.18 H new ATOM 269 N ALA A 18 -6.385 -11.514 4.434 1.00 0.14 N ATOM 270 CA ALA A 18 -7.438 -10.691 3.769 1.00 0.15 C ATOM 271 C ALA A 18 -8.455 -11.600 3.076 1.00 0.14 C ATOM 272 O ALA A 18 -9.620 -11.274 2.963 1.00 0.17 O ATOM 273 CB ALA A 18 -6.784 -9.787 2.731 1.00 0.15 C ATOM 0 H ALA A 18 -5.434 -11.350 4.103 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.950 -10.089 4.520 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.548 -9.183 2.241 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -6.063 -9.133 3.221 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.273 -10.398 1.987 1.00 0.15 H new ATOM 279 N GLY A 19 -8.025 -12.738 2.613 1.00 0.16 N ATOM 280 CA GLY A 19 -8.965 -13.670 1.928 1.00 0.20 C ATOM 281 C GLY A 19 -9.444 -13.061 0.609 1.00 0.16 C ATOM 282 O GLY A 19 -8.659 -12.687 -0.240 1.00 0.17 O ATOM 0 H GLY A 19 -7.061 -13.065 2.679 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.471 -14.623 1.739 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.819 -13.876 2.573 1.00 0.20 H new ATOM 286 N ASP A 20 -10.731 -12.972 0.426 1.00 0.15 N ATOM 287 CA ASP A 20 -11.282 -12.407 -0.839 1.00 0.14 C ATOM 288 C ASP A 20 -11.483 -10.900 -0.693 1.00 0.12 C ATOM 289 O ASP A 20 -11.990 -10.243 -1.580 1.00 0.13 O ATOM 290 CB ASP A 20 -12.628 -13.066 -1.123 1.00 0.15 C ATOM 291 CG ASP A 20 -12.423 -14.571 -1.306 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.322 -14.959 -1.662 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.366 -15.310 -1.081 1.00 1.07 O ATOM 0 H ASP A 20 -11.432 -13.269 1.105 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.587 -12.597 -1.657 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.319 -12.878 -0.301 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -13.075 -12.636 -2.019 1.00 0.15 H new ATOM 298 N LYS A 21 -11.099 -10.349 0.420 1.00 0.12 N ATOM 299 CA LYS A 21 -11.280 -8.885 0.635 1.00 0.12 C ATOM 300 C LYS A 21 -10.230 -8.106 -0.167 1.00 0.10 C ATOM 301 O LYS A 21 -9.124 -8.567 -0.361 1.00 0.11 O ATOM 302 CB LYS A 21 -11.083 -8.577 2.121 1.00 0.15 C ATOM 303 CG LYS A 21 -12.219 -9.187 2.947 1.00 0.21 C ATOM 304 CD LYS A 21 -12.268 -8.504 4.314 1.00 0.31 C ATOM 305 CE LYS A 21 -13.430 -9.064 5.127 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.157 -10.487 5.467 1.00 1.50 N ATOM 0 H LYS A 21 -10.665 -10.849 1.196 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.279 -8.593 0.310 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.126 -8.975 2.458 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.052 -7.498 2.274 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.170 -9.060 2.429 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.062 -10.259 3.068 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.330 -8.664 4.845 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.384 -7.427 4.189 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -13.565 -8.481 6.038 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -14.357 -8.986 4.558 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -13.794 -10.790 6.231 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -13.316 -11.081 4.628 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -12.170 -10.586 5.779 1.00 1.50 H new ATOM 320 N LEU A 22 -10.556 -6.920 -0.623 1.00 0.11 N ATOM 321 CA LEU A 22 -9.561 -6.124 -1.393 1.00 0.12 C ATOM 322 C LEU A 22 -8.362 -5.852 -0.466 1.00 0.12 C ATOM 323 O LEU A 22 -8.489 -5.893 0.742 1.00 0.14 O ATOM 324 CB LEU A 22 -10.225 -4.796 -1.838 1.00 0.15 C ATOM 325 CG LEU A 22 -9.818 -4.401 -3.273 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.405 -3.009 -3.622 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.285 -4.357 -3.404 1.00 0.47 C ATOM 0 H LEU A 22 -11.464 -6.475 -0.494 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.221 -6.656 -2.281 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.309 -4.896 -1.783 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.943 -4.000 -1.149 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.212 -5.147 -3.963 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -10.114 -2.735 -4.636 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.492 -3.045 -3.553 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -10.022 -2.267 -2.922 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -8.015 -4.077 -4.422 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.881 -3.623 -2.706 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.872 -5.340 -3.176 1.00 0.47 H new ATOM 339 N VAL A 23 -7.206 -5.572 -1.011 1.00 0.11 N ATOM 340 CA VAL A 23 -6.018 -5.293 -0.161 1.00 0.11 C ATOM 341 C VAL A 23 -5.133 -4.267 -0.869 1.00 0.11 C ATOM 342 O VAL A 23 -4.626 -4.521 -1.943 1.00 0.17 O ATOM 343 CB VAL A 23 -5.207 -6.576 0.041 1.00 0.11 C ATOM 344 CG1 VAL A 23 -4.035 -6.292 0.981 1.00 0.16 C ATOM 345 CG2 VAL A 23 -6.090 -7.667 0.640 1.00 0.12 C ATOM 0 H VAL A 23 -7.037 -5.525 -2.016 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.350 -4.914 0.806 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.830 -6.916 -0.924 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.456 -7.204 1.126 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.397 -5.523 0.545 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.415 -5.946 1.942 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.503 -8.575 0.779 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.477 -7.334 1.603 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.922 -7.873 -0.034 1.00 0.12 H new ATOM 355 N VAL A 24 -4.935 -3.117 -0.275 1.00 0.09 N ATOM 356 CA VAL A 24 -4.069 -2.075 -0.914 1.00 0.09 C ATOM 357 C VAL A 24 -2.744 -2.013 -0.149 1.00 0.09 C ATOM 358 O VAL A 24 -2.727 -2.115 1.061 1.00 0.10 O ATOM 359 CB VAL A 24 -4.777 -0.718 -0.846 1.00 0.11 C ATOM 360 CG1 VAL A 24 -4.003 0.311 -1.678 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.201 -0.861 -1.397 1.00 0.14 C ATOM 0 H VAL A 24 -5.335 -2.853 0.625 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.881 -2.323 -1.959 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.819 -0.381 0.190 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.509 1.275 -1.627 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.992 0.411 -1.284 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.957 -0.020 -2.715 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.708 0.103 -1.350 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -6.158 -1.198 -2.433 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.751 -1.589 -0.800 1.00 0.14 H new ATOM 371 N VAL A 25 -1.630 -1.876 -0.836 1.00 0.09 N ATOM 372 CA VAL A 25 -0.302 -1.840 -0.130 1.00 0.09 C ATOM 373 C VAL A 25 0.440 -0.546 -0.472 1.00 0.10 C ATOM 374 O VAL A 25 0.707 -0.254 -1.619 1.00 0.11 O ATOM 375 CB VAL A 25 0.538 -3.036 -0.587 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.819 -3.123 0.245 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.264 -4.323 -0.406 1.00 0.10 C ATOM 0 H VAL A 25 -1.582 -1.788 -1.851 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.466 -1.884 0.947 1.00 0.09 H new ATOM 0 HB VAL A 25 0.797 -2.906 -1.638 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.411 -3.976 -0.086 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.398 -2.208 0.118 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.562 -3.246 1.297 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.335 -5.174 -0.732 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.525 -4.444 0.645 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.175 -4.271 -1.002 1.00 0.10 H new ATOM 387 N ASP A 26 0.788 0.224 0.527 1.00 0.11 N ATOM 388 CA ASP A 26 1.528 1.501 0.279 1.00 0.12 C ATOM 389 C ASP A 26 3.030 1.286 0.501 1.00 0.14 C ATOM 390 O ASP A 26 3.460 0.945 1.582 1.00 0.20 O ATOM 391 CB ASP A 26 1.032 2.570 1.254 1.00 0.14 C ATOM 392 CG ASP A 26 1.664 3.915 0.891 1.00 0.16 C ATOM 393 OD1 ASP A 26 2.157 4.034 -0.218 1.00 1.04 O ATOM 394 OD2 ASP A 26 1.645 4.802 1.729 1.00 1.05 O ATOM 0 H ASP A 26 0.591 0.024 1.508 1.00 0.11 H new ATOM 0 HA ASP A 26 1.354 1.820 -0.749 1.00 0.12 H new ATOM 0 HB2 ASP A 26 -0.055 2.642 1.211 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.293 2.296 2.276 1.00 0.14 H new ATOM 399 N PHE A 27 3.832 1.499 -0.506 1.00 0.13 N ATOM 400 CA PHE A 27 5.315 1.328 -0.356 1.00 0.13 C ATOM 401 C PHE A 27 5.969 2.682 -0.072 1.00 0.22 C ATOM 402 O PHE A 27 7.130 2.886 -0.358 1.00 0.73 O ATOM 403 CB PHE A 27 5.907 0.739 -1.640 1.00 0.11 C ATOM 404 CG PHE A 27 5.608 -0.737 -1.721 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.426 -1.647 -1.040 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.534 -1.199 -2.488 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.172 -3.020 -1.127 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.278 -2.574 -2.570 1.00 0.14 C ATOM 409 CZ PHE A 27 5.096 -3.484 -1.890 1.00 0.14 C ATOM 0 H PHE A 27 3.526 1.787 -1.436 1.00 0.13 H new ATOM 0 HA PHE A 27 5.508 0.650 0.475 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.492 1.250 -2.509 1.00 0.11 H new ATOM 0 HB3 PHE A 27 6.985 0.901 -1.660 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.254 -1.288 -0.447 1.00 0.11 H new ATOM 0 HD2 PHE A 27 3.904 -0.498 -3.015 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.807 -3.721 -0.605 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.447 -2.933 -3.159 1.00 0.14 H new ATOM 0 HZ PHE A 27 4.896 -4.543 -1.955 1.00 0.14 H new ATOM 419 N SER A 28 5.237 3.614 0.468 1.00 0.30 N ATOM 420 CA SER A 28 5.838 4.951 0.737 1.00 0.24 C ATOM 421 C SER A 28 7.037 4.808 1.663 1.00 0.24 C ATOM 422 O SER A 28 7.071 3.962 2.535 1.00 0.28 O ATOM 423 CB SER A 28 4.820 5.862 1.420 1.00 0.27 C ATOM 424 OG SER A 28 3.683 6.033 0.583 1.00 0.29 O ATOM 0 H SER A 28 4.257 3.511 0.733 1.00 0.30 H new ATOM 0 HA SER A 28 6.145 5.381 -0.216 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.518 5.432 2.375 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.272 6.830 1.635 1.00 0.27 H new ATOM 0 HG SER A 28 2.867 5.957 1.120 1.00 0.29 H new ATOM 430 N ALA A 29 8.017 5.649 1.486 1.00 0.20 N ATOM 431 CA ALA A 29 9.215 5.591 2.359 1.00 0.21 C ATOM 432 C ALA A 29 8.923 6.409 3.611 1.00 0.22 C ATOM 433 O ALA A 29 8.615 7.581 3.539 1.00 0.22 O ATOM 434 CB ALA A 29 10.420 6.196 1.612 1.00 0.19 C ATOM 0 H ALA A 29 8.037 6.376 0.771 1.00 0.20 H new ATOM 0 HA ALA A 29 9.447 4.560 2.627 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.302 6.155 2.251 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.605 5.628 0.700 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.206 7.234 1.356 1.00 0.19 H new ATOM 440 N THR A 30 9.023 5.813 4.759 1.00 0.23 N ATOM 441 CA THR A 30 8.751 6.584 5.993 1.00 0.24 C ATOM 442 C THR A 30 9.851 7.636 6.148 1.00 0.22 C ATOM 443 O THR A 30 9.629 8.708 6.676 1.00 0.22 O ATOM 444 CB THR A 30 8.740 5.641 7.202 1.00 0.28 C ATOM 445 OG1 THR A 30 8.511 6.391 8.385 1.00 0.30 O ATOM 446 CG2 THR A 30 10.081 4.909 7.306 1.00 0.29 C ATOM 0 H THR A 30 9.279 4.835 4.896 1.00 0.23 H new ATOM 0 HA THR A 30 7.778 7.071 5.932 1.00 0.24 H new ATOM 0 HB THR A 30 7.944 4.907 7.077 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.502 5.788 9.158 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.065 4.241 8.167 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.250 4.328 6.399 1.00 0.29 H new ATOM 0 HG23 THR A 30 10.884 5.636 7.426 1.00 0.29 H new ATOM 454 N TRP A 31 11.035 7.342 5.669 1.00 0.22 N ATOM 455 CA TRP A 31 12.154 8.327 5.774 1.00 0.21 C ATOM 456 C TRP A 31 11.932 9.509 4.825 1.00 0.19 C ATOM 457 O TRP A 31 12.411 10.602 5.060 1.00 0.22 O ATOM 458 CB TRP A 31 13.468 7.647 5.411 1.00 0.23 C ATOM 459 CG TRP A 31 13.449 7.207 3.979 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.202 5.948 3.563 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.685 7.995 2.777 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.315 5.900 2.182 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.599 7.142 1.653 1.00 0.21 C ATOM 464 CE3 TRP A 31 13.972 9.351 2.558 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.794 7.623 0.356 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.163 9.837 1.258 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.076 8.975 0.160 1.00 0.21 C ATOM 0 H TRP A 31 11.274 6.463 5.210 1.00 0.22 H new ATOM 0 HA TRP A 31 12.188 8.696 6.799 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.298 8.334 5.576 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.632 6.787 6.060 1.00 0.23 H new ATOM 0 HD1 TRP A 31 12.956 5.113 4.202 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.202 5.052 1.626 1.00 0.25 H new ATOM 0 HE3 TRP A 31 14.046 10.025 3.398 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.727 6.953 -0.489 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.379 10.884 1.103 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.227 9.356 -0.839 1.00 0.21 H new ATOM 478 N CYS A 32 11.223 9.302 3.751 1.00 0.18 N ATOM 479 CA CYS A 32 10.981 10.413 2.790 1.00 0.17 C ATOM 480 C CYS A 32 9.790 11.227 3.295 1.00 0.17 C ATOM 481 O CYS A 32 8.706 10.711 3.479 1.00 0.20 O ATOM 482 CB CYS A 32 10.677 9.809 1.406 1.00 0.18 C ATOM 483 SG CYS A 32 10.913 11.056 0.108 1.00 0.26 S ATOM 0 H CYS A 32 10.800 8.409 3.497 1.00 0.18 H new ATOM 0 HA CYS A 32 11.853 11.062 2.707 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.330 8.956 1.223 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.653 9.438 1.381 1.00 0.18 H new ATOM 488 N GLY A 33 9.990 12.491 3.551 1.00 0.20 N ATOM 489 CA GLY A 33 8.875 13.326 4.077 1.00 0.23 C ATOM 490 C GLY A 33 7.722 13.401 3.071 1.00 0.21 C ATOM 491 O GLY A 33 6.587 13.154 3.422 1.00 0.22 O ATOM 0 H GLY A 33 10.875 12.980 3.419 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.515 12.908 5.017 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.239 14.330 4.294 1.00 0.23 H new ATOM 495 N PRO A 34 7.985 13.757 1.838 1.00 0.21 N ATOM 496 CA PRO A 34 6.897 13.850 0.825 1.00 0.22 C ATOM 497 C PRO A 34 6.049 12.570 0.750 1.00 0.22 C ATOM 498 O PRO A 34 4.859 12.621 0.509 1.00 0.24 O ATOM 499 CB PRO A 34 7.690 14.078 -0.470 1.00 0.29 C ATOM 500 CG PRO A 34 9.081 14.591 -0.073 1.00 0.31 C ATOM 501 CD PRO A 34 9.356 14.103 1.359 1.00 0.24 C ATOM 0 HA PRO A 34 6.170 14.631 1.047 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.771 13.152 -1.039 1.00 0.29 H new ATOM 0 HB3 PRO A 34 7.182 14.801 -1.109 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.840 14.215 -0.760 1.00 0.31 H new ATOM 0 HG3 PRO A 34 9.118 15.679 -0.122 1.00 0.31 H new ATOM 0 HD2 PRO A 34 10.023 13.241 1.375 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.819 14.876 1.972 1.00 0.24 H new ATOM 509 N ALA A 35 6.654 11.425 0.946 1.00 0.21 N ATOM 510 CA ALA A 35 5.880 10.152 0.870 1.00 0.23 C ATOM 511 C ALA A 35 5.073 9.941 2.162 1.00 0.23 C ATOM 512 O ALA A 35 3.878 9.737 2.127 1.00 0.22 O ATOM 513 CB ALA A 35 6.853 8.980 0.651 1.00 0.24 C ATOM 0 H ALA A 35 7.647 11.319 1.154 1.00 0.21 H new ATOM 0 HA ALA A 35 5.181 10.203 0.035 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.292 8.047 0.595 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.401 9.131 -0.279 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.556 8.931 1.482 1.00 0.24 H new ATOM 519 N LYS A 36 5.712 9.983 3.302 1.00 0.25 N ATOM 520 CA LYS A 36 4.959 9.784 4.576 1.00 0.27 C ATOM 521 C LYS A 36 3.880 10.865 4.713 1.00 0.26 C ATOM 522 O LYS A 36 2.792 10.618 5.188 1.00 0.27 O ATOM 523 CB LYS A 36 5.913 9.853 5.768 1.00 0.33 C ATOM 524 CG LYS A 36 5.174 9.402 7.029 1.00 0.37 C ATOM 525 CD LYS A 36 6.055 9.677 8.251 1.00 0.44 C ATOM 526 CE LYS A 36 5.468 8.989 9.484 1.00 0.89 C ATOM 527 NZ LYS A 36 5.616 7.512 9.348 1.00 1.59 N ATOM 0 H LYS A 36 6.714 10.145 3.406 1.00 0.25 H new ATOM 0 HA LYS A 36 4.487 8.802 4.558 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.780 9.216 5.593 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.285 10.870 5.894 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.227 9.934 7.121 1.00 0.37 H new ATOM 0 HG3 LYS A 36 4.938 8.340 6.967 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.067 9.315 8.069 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.127 10.751 8.423 1.00 0.44 H new ATOM 0 HE2 LYS A 36 5.978 9.335 10.383 1.00 0.89 H new ATOM 0 HE3 LYS A 36 4.416 9.251 9.593 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 5.525 7.066 10.283 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 4.876 7.146 8.716 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 6.551 7.292 8.949 1.00 1.59 H new ATOM 541 N MET A 37 4.178 12.065 4.297 1.00 0.28 N ATOM 542 CA MET A 37 3.184 13.171 4.412 1.00 0.30 C ATOM 543 C MET A 37 1.914 12.792 3.649 1.00 0.25 C ATOM 544 O MET A 37 0.836 13.256 3.956 1.00 0.25 O ATOM 545 CB MET A 37 3.786 14.461 3.832 1.00 0.38 C ATOM 546 CG MET A 37 2.872 15.656 4.135 1.00 0.44 C ATOM 547 SD MET A 37 1.466 15.664 2.993 1.00 1.54 S ATOM 548 CE MET A 37 2.251 16.612 1.666 1.00 2.10 C ATOM 0 H MET A 37 5.071 12.329 3.880 1.00 0.28 H new ATOM 0 HA MET A 37 2.934 13.336 5.460 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.775 14.633 4.258 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.916 14.358 2.755 1.00 0.38 H new ATOM 0 HG2 MET A 37 2.516 15.600 5.164 1.00 0.44 H new ATOM 0 HG3 MET A 37 3.432 16.586 4.042 1.00 0.44 H new ATOM 0 HE1 MET A 37 1.547 16.738 0.843 1.00 2.10 H new ATOM 0 HE2 MET A 37 2.546 17.591 2.044 1.00 2.10 H new ATOM 0 HE3 MET A 37 3.133 16.079 1.311 1.00 2.10 H new ATOM 558 N ILE A 38 2.045 11.979 2.638 1.00 0.23 N ATOM 559 CA ILE A 38 0.866 11.566 1.822 1.00 0.25 C ATOM 560 C ILE A 38 0.155 10.337 2.415 1.00 0.26 C ATOM 561 O ILE A 38 -0.921 9.982 1.975 1.00 0.31 O ATOM 562 CB ILE A 38 1.348 11.228 0.416 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.934 12.487 -0.220 1.00 0.34 C ATOM 564 CG2 ILE A 38 0.179 10.717 -0.436 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.771 12.096 -1.426 1.00 0.49 C ATOM 0 H ILE A 38 2.933 11.576 2.337 1.00 0.23 H new ATOM 0 HA ILE A 38 0.152 12.390 1.811 1.00 0.25 H new ATOM 0 HB ILE A 38 2.108 10.448 0.470 1.00 0.33 H new ATOM 0 HG12 ILE A 38 1.133 13.162 -0.522 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.547 13.023 0.505 1.00 0.34 H new ATOM 0 HG21 ILE A 38 0.536 10.479 -1.438 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -0.241 9.821 0.022 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -0.590 11.487 -0.498 1.00 0.35 H new ATOM 0 HD11 ILE A 38 3.191 12.992 -1.883 1.00 0.49 H new ATOM 0 HD12 ILE A 38 3.579 11.437 -1.110 1.00 0.49 H new ATOM 0 HD13 ILE A 38 2.144 11.578 -2.152 1.00 0.49 H new ATOM 577 N LYS A 39 0.737 9.645 3.370 1.00 0.27 N ATOM 578 CA LYS A 39 0.037 8.422 3.881 1.00 0.34 C ATOM 579 C LYS A 39 -1.274 8.734 4.644 1.00 0.30 C ATOM 580 O LYS A 39 -2.156 7.911 4.648 1.00 0.33 O ATOM 581 CB LYS A 39 0.948 7.517 4.749 1.00 0.46 C ATOM 582 CG LYS A 39 1.098 8.019 6.210 1.00 0.50 C ATOM 583 CD LYS A 39 1.536 6.848 7.111 1.00 0.65 C ATOM 584 CE LYS A 39 1.231 7.167 8.572 1.00 0.80 C ATOM 585 NZ LYS A 39 1.679 6.026 9.419 1.00 0.75 N ATOM 0 H LYS A 39 1.634 9.864 3.804 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.227 7.872 2.978 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.540 6.506 4.759 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.934 7.458 4.289 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.833 8.823 6.256 1.00 0.50 H new ATOM 0 HG3 LYS A 39 0.153 8.431 6.564 1.00 0.50 H new ATOM 0 HD2 LYS A 39 1.017 5.937 6.814 1.00 0.65 H new ATOM 0 HD3 LYS A 39 2.603 6.662 6.986 1.00 0.65 H new ATOM 0 HE2 LYS A 39 1.741 8.082 8.872 1.00 0.80 H new ATOM 0 HE3 LYS A 39 0.163 7.339 8.705 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.972 5.845 10.160 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 1.787 5.177 8.828 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 2.591 6.259 9.861 1.00 0.75 H new ATOM 599 N PRO A 40 -1.435 9.861 5.326 1.00 0.26 N ATOM 600 CA PRO A 40 -2.706 10.092 6.073 1.00 0.25 C ATOM 601 C PRO A 40 -3.931 9.840 5.213 1.00 0.20 C ATOM 602 O PRO A 40 -4.909 9.310 5.681 1.00 0.21 O ATOM 603 CB PRO A 40 -2.582 11.563 6.475 1.00 0.26 C ATOM 604 CG PRO A 40 -1.096 11.918 6.416 1.00 0.28 C ATOM 605 CD PRO A 40 -0.436 10.960 5.413 1.00 0.27 C ATOM 0 HA PRO A 40 -2.838 9.418 6.919 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.157 12.197 5.800 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -2.977 11.723 7.478 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -0.961 12.954 6.104 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -0.638 11.819 7.400 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.268 11.435 4.446 1.00 0.27 H new ATOM 0 HD3 PRO A 40 0.532 10.604 5.766 1.00 0.27 H new ATOM 613 N PHE A 41 -3.896 10.174 3.958 1.00 0.16 N ATOM 614 CA PHE A 41 -5.087 9.879 3.138 1.00 0.13 C ATOM 615 C PHE A 41 -5.171 8.358 3.032 1.00 0.13 C ATOM 616 O PHE A 41 -6.203 7.757 3.227 1.00 0.15 O ATOM 617 CB PHE A 41 -4.920 10.473 1.738 1.00 0.14 C ATOM 618 CG PHE A 41 -4.995 11.980 1.793 1.00 0.18 C ATOM 619 CD1 PHE A 41 -3.939 12.713 2.340 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.123 12.644 1.296 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.006 14.112 2.393 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.194 14.043 1.350 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.135 14.777 1.898 1.00 0.37 C ATOM 0 H PHE A 41 -3.117 10.625 3.479 1.00 0.16 H new ATOM 0 HA PHE A 41 -5.985 10.305 3.585 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -3.963 10.165 1.317 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.697 10.088 1.078 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.069 12.200 2.723 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -6.939 12.078 0.871 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.188 14.677 2.815 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.065 14.555 0.969 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.189 15.855 1.939 1.00 0.37 H new ATOM 633 N PHE A 42 -4.056 7.725 2.788 1.00 0.12 N ATOM 634 CA PHE A 42 -4.038 6.237 2.706 1.00 0.13 C ATOM 635 C PHE A 42 -4.500 5.630 4.037 1.00 0.14 C ATOM 636 O PHE A 42 -5.393 4.810 4.078 1.00 0.16 O ATOM 637 CB PHE A 42 -2.604 5.786 2.382 1.00 0.13 C ATOM 638 CG PHE A 42 -2.509 4.284 2.448 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.878 3.504 1.346 1.00 0.12 C ATOM 640 CD2 PHE A 42 -2.057 3.672 3.623 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.795 2.110 1.423 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.971 2.279 3.699 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.342 1.496 2.598 1.00 0.13 C ATOM 0 H PHE A 42 -3.153 8.176 2.641 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.718 5.897 1.925 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.321 6.133 1.388 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.905 6.234 3.088 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.226 3.977 0.439 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.774 4.277 4.472 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -3.081 1.506 0.575 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.619 1.807 4.605 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.279 0.419 2.655 1.00 0.13 H new ATOM 653 N HIS A 43 -3.897 6.037 5.122 1.00 0.16 N ATOM 654 CA HIS A 43 -4.278 5.499 6.456 1.00 0.18 C ATOM 655 C HIS A 43 -5.691 5.965 6.823 1.00 0.16 C ATOM 656 O HIS A 43 -6.476 5.225 7.375 1.00 0.16 O ATOM 657 CB HIS A 43 -3.279 6.027 7.493 1.00 0.23 C ATOM 658 CG HIS A 43 -3.631 5.497 8.852 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.036 4.364 9.382 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.542 5.912 9.780 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.599 4.139 10.585 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.525 5.055 10.876 1.00 0.31 N ATOM 0 H HIS A 43 -3.147 6.728 5.138 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.262 4.409 6.435 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.267 5.723 7.225 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.292 7.117 7.503 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.181 6.777 9.679 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.334 3.318 11.234 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.096 5.114 11.719 1.00 0.31 H new ATOM 670 N SER A 44 -6.011 7.194 6.524 1.00 0.15 N ATOM 671 CA SER A 44 -7.366 7.726 6.856 1.00 0.15 C ATOM 672 C SER A 44 -8.453 6.923 6.130 1.00 0.13 C ATOM 673 O SER A 44 -9.510 6.657 6.666 1.00 0.15 O ATOM 674 CB SER A 44 -7.466 9.198 6.446 1.00 0.18 C ATOM 675 OG SER A 44 -6.550 9.968 7.212 1.00 0.22 O ATOM 0 H SER A 44 -5.389 7.857 6.061 1.00 0.15 H new ATOM 0 HA SER A 44 -7.515 7.635 7.932 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.248 9.306 5.383 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.482 9.561 6.602 1.00 0.18 H new ATOM 0 HG SER A 44 -5.633 9.727 6.965 1.00 0.22 H new ATOM 681 N LEU A 45 -8.202 6.560 4.902 1.00 0.12 N ATOM 682 CA LEU A 45 -9.213 5.802 4.097 1.00 0.14 C ATOM 683 C LEU A 45 -9.513 4.452 4.741 1.00 0.13 C ATOM 684 O LEU A 45 -10.521 3.835 4.458 1.00 0.15 O ATOM 685 CB LEU A 45 -8.672 5.575 2.686 1.00 0.16 C ATOM 686 CG LEU A 45 -8.673 6.901 1.896 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.687 6.802 0.727 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.074 7.195 1.341 1.00 0.22 C ATOM 0 H LEU A 45 -7.329 6.757 4.412 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.133 6.385 4.057 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.660 5.174 2.737 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.283 4.835 2.169 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.378 7.706 2.569 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.688 7.739 0.170 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.685 6.610 1.111 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -7.985 5.987 0.068 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.056 8.133 0.787 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.379 6.387 0.676 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.783 7.274 2.165 1.00 0.22 H new ATOM 700 N SER A 46 -8.656 3.966 5.589 1.00 0.12 N ATOM 701 CA SER A 46 -8.934 2.647 6.213 1.00 0.12 C ATOM 702 C SER A 46 -10.299 2.709 6.884 1.00 0.14 C ATOM 703 O SER A 46 -11.053 1.758 6.872 1.00 0.16 O ATOM 704 CB SER A 46 -7.862 2.331 7.255 1.00 0.13 C ATOM 705 OG SER A 46 -6.600 2.259 6.608 1.00 0.14 O ATOM 0 H SER A 46 -7.787 4.417 5.875 1.00 0.12 H new ATOM 0 HA SER A 46 -8.925 1.866 5.453 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.847 3.101 8.026 1.00 0.13 H new ATOM 0 HB3 SER A 46 -8.086 1.387 7.752 1.00 0.13 H new ATOM 0 HG SER A 46 -6.160 3.134 6.651 1.00 0.14 H new ATOM 711 N GLU A 47 -10.623 3.824 7.463 1.00 0.15 N ATOM 712 CA GLU A 47 -11.943 3.962 8.127 1.00 0.18 C ATOM 713 C GLU A 47 -13.003 4.311 7.071 1.00 0.18 C ATOM 714 O GLU A 47 -14.186 4.133 7.290 1.00 0.21 O ATOM 715 CB GLU A 47 -11.872 5.093 9.157 1.00 0.22 C ATOM 716 CG GLU A 47 -10.968 4.679 10.322 1.00 0.23 C ATOM 717 CD GLU A 47 -9.503 4.711 9.874 1.00 1.34 C ATOM 718 OE1 GLU A 47 -9.219 5.357 8.879 1.00 2.16 O ATOM 719 OE2 GLU A 47 -8.687 4.088 10.536 1.00 2.05 O ATOM 0 H GLU A 47 -10.028 4.651 7.506 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.206 3.027 8.622 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.486 5.999 8.690 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.871 5.325 9.525 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -11.115 5.352 11.166 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -11.233 3.678 10.663 1.00 0.23 H new ATOM 726 N LYS A 48 -12.593 4.813 5.926 1.00 0.17 N ATOM 727 CA LYS A 48 -13.591 5.170 4.875 1.00 0.19 C ATOM 728 C LYS A 48 -14.053 3.883 4.213 1.00 0.18 C ATOM 729 O LYS A 48 -15.211 3.712 3.890 1.00 0.21 O ATOM 730 CB LYS A 48 -12.959 6.094 3.830 1.00 0.20 C ATOM 731 CG LYS A 48 -14.050 6.590 2.875 1.00 0.30 C ATOM 732 CD LYS A 48 -13.434 7.461 1.779 1.00 0.82 C ATOM 733 CE LYS A 48 -14.540 7.976 0.860 1.00 1.03 C ATOM 734 NZ LYS A 48 -15.425 8.904 1.623 1.00 1.78 N ATOM 0 H LYS A 48 -11.619 4.988 5.680 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.434 5.694 5.324 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.475 6.939 4.319 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.187 5.561 3.275 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.566 5.741 2.428 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.796 7.161 3.428 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -12.896 8.298 2.224 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -12.708 6.884 1.205 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -14.106 8.492 0.003 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -15.121 7.141 0.468 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -15.952 9.506 0.959 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -16.095 8.352 2.196 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -14.846 9.501 2.247 1.00 1.78 H new ATOM 748 N TYR A 49 -13.141 2.960 4.041 1.00 0.16 N ATOM 749 CA TYR A 49 -13.486 1.635 3.444 1.00 0.17 C ATOM 750 C TYR A 49 -13.053 0.566 4.442 1.00 0.16 C ATOM 751 O TYR A 49 -12.146 -0.207 4.203 1.00 0.16 O ATOM 752 CB TYR A 49 -12.749 1.446 2.107 1.00 0.17 C ATOM 753 CG TYR A 49 -13.240 2.472 1.105 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.526 2.356 0.561 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.416 3.539 0.726 1.00 0.19 C ATOM 756 CE1 TYR A 49 -14.986 3.307 -0.360 1.00 0.25 C ATOM 757 CE2 TYR A 49 -12.876 4.490 -0.194 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.161 4.372 -0.736 1.00 0.21 C ATOM 759 OH TYR A 49 -14.616 5.309 -1.644 1.00 0.25 O ATOM 0 H TYR A 49 -12.159 3.070 4.293 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.556 1.567 3.245 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.674 1.553 2.255 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.920 0.439 1.725 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.163 1.534 0.851 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.424 3.629 1.144 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -15.977 3.217 -0.779 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.240 5.313 -0.485 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.198 6.175 -1.457 1.00 0.25 H new ATOM 769 N SER A 50 -13.713 0.530 5.570 1.00 0.17 N ATOM 770 CA SER A 50 -13.374 -0.457 6.624 1.00 0.18 C ATOM 771 C SER A 50 -13.623 -1.872 6.100 1.00 0.19 C ATOM 772 O SER A 50 -13.228 -2.850 6.704 1.00 0.21 O ATOM 773 CB SER A 50 -14.249 -0.184 7.848 1.00 0.20 C ATOM 774 OG SER A 50 -15.595 -0.531 7.553 1.00 0.22 O ATOM 0 H SER A 50 -14.484 1.155 5.804 1.00 0.17 H new ATOM 0 HA SER A 50 -12.323 -0.368 6.900 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.891 -0.762 8.700 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.186 0.868 8.127 1.00 0.20 H new ATOM 0 HG SER A 50 -16.157 -0.358 8.337 1.00 0.22 H new ATOM 780 N ASN A 51 -14.255 -1.984 4.961 1.00 0.20 N ATOM 781 CA ASN A 51 -14.514 -3.331 4.380 1.00 0.23 C ATOM 782 C ASN A 51 -13.343 -3.690 3.465 1.00 0.19 C ATOM 783 O ASN A 51 -13.382 -4.659 2.734 1.00 0.22 O ATOM 784 CB ASN A 51 -15.809 -3.291 3.561 1.00 0.32 C ATOM 785 CG ASN A 51 -16.222 -4.714 3.179 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.628 -5.491 4.022 1.00 1.13 O ATOM 787 ND2 ASN A 51 -16.140 -5.089 1.931 1.00 0.27 N ATOM 0 H ASN A 51 -14.602 -1.200 4.409 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.615 -4.073 5.172 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.601 -2.815 4.139 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.664 -2.691 2.663 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.416 -6.034 1.663 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.800 -4.437 1.224 1.00 0.27 H new ATOM 794 N VAL A 52 -12.291 -2.909 3.524 1.00 0.21 N ATOM 795 CA VAL A 52 -11.086 -3.166 2.684 1.00 0.17 C ATOM 796 C VAL A 52 -9.856 -3.173 3.595 1.00 0.13 C ATOM 797 O VAL A 52 -9.821 -2.493 4.601 1.00 0.14 O ATOM 798 CB VAL A 52 -10.962 -2.061 1.627 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.588 -2.131 0.941 1.00 0.19 C ATOM 800 CG2 VAL A 52 -12.074 -2.241 0.583 1.00 0.24 C ATOM 0 H VAL A 52 -12.219 -2.092 4.130 1.00 0.21 H new ATOM 0 HA VAL A 52 -11.169 -4.127 2.176 1.00 0.17 H new ATOM 0 HB VAL A 52 -11.060 -1.088 2.109 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.514 -1.341 0.193 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.803 -2.001 1.685 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.472 -3.101 0.457 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.994 -1.460 -0.173 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.973 -3.217 0.108 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -13.046 -2.175 1.072 1.00 0.24 H new ATOM 810 N ILE A 53 -8.854 -3.953 3.269 1.00 0.11 N ATOM 811 CA ILE A 53 -7.636 -4.018 4.143 1.00 0.09 C ATOM 812 C ILE A 53 -6.532 -3.116 3.562 1.00 0.09 C ATOM 813 O ILE A 53 -6.133 -3.264 2.426 1.00 0.12 O ATOM 814 CB ILE A 53 -7.144 -5.472 4.192 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.318 -6.404 4.538 1.00 0.13 C ATOM 816 CG2 ILE A 53 -6.034 -5.629 5.242 1.00 0.13 C ATOM 817 CD1 ILE A 53 -9.010 -5.946 5.829 1.00 0.15 C ATOM 0 H ILE A 53 -8.825 -4.546 2.440 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.881 -3.674 5.148 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.742 -5.738 3.215 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -9.036 -6.413 3.718 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.956 -7.425 4.656 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.697 -6.665 5.263 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.196 -4.980 4.986 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.420 -5.353 6.223 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.837 -6.618 6.056 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.294 -5.961 6.651 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.391 -4.933 5.698 1.00 0.15 H new ATOM 829 N PHE A 54 -6.036 -2.182 4.346 1.00 0.08 N ATOM 830 CA PHE A 54 -4.949 -1.259 3.860 1.00 0.09 C ATOM 831 C PHE A 54 -3.622 -1.624 4.558 1.00 0.09 C ATOM 832 O PHE A 54 -3.541 -1.621 5.770 1.00 0.12 O ATOM 833 CB PHE A 54 -5.305 0.189 4.235 1.00 0.10 C ATOM 834 CG PHE A 54 -6.489 0.686 3.430 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.788 0.314 3.793 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.291 1.543 2.338 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.883 0.796 3.068 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.387 2.019 1.610 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.684 1.646 1.976 1.00 0.10 C ATOM 0 H PHE A 54 -6.338 -2.018 5.306 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.850 -1.357 2.779 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.535 0.246 5.299 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.445 0.835 4.059 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.945 -0.346 4.633 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.290 1.836 2.058 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.885 0.511 3.353 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.231 2.674 0.766 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.531 2.014 1.416 1.00 0.10 H new ATOM 849 N LEU A 55 -2.576 -1.916 3.810 1.00 0.09 N ATOM 850 CA LEU A 55 -1.243 -2.260 4.433 1.00 0.11 C ATOM 851 C LEU A 55 -0.236 -1.139 4.174 1.00 0.10 C ATOM 852 O LEU A 55 -0.211 -0.544 3.117 1.00 0.10 O ATOM 853 CB LEU A 55 -0.656 -3.567 3.842 1.00 0.12 C ATOM 854 CG LEU A 55 -1.358 -4.817 4.398 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.875 -4.658 4.379 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.960 -6.035 3.557 1.00 0.22 C ATOM 0 H LEU A 55 -2.586 -1.931 2.790 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.415 -2.390 5.501 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.753 -3.550 2.756 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.409 -3.620 4.066 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.046 -4.954 5.433 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.340 -5.559 4.778 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.159 -3.801 4.990 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.211 -4.500 3.354 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.455 -6.924 3.947 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.262 -5.877 2.522 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.120 -6.172 3.603 1.00 0.22 H new ATOM 868 N GLU A 56 0.630 -0.892 5.123 1.00 0.12 N ATOM 869 CA GLU A 56 1.690 0.146 4.945 1.00 0.13 C ATOM 870 C GLU A 56 3.025 -0.598 4.894 1.00 0.13 C ATOM 871 O GLU A 56 3.296 -1.442 5.727 1.00 0.14 O ATOM 872 CB GLU A 56 1.661 1.122 6.131 1.00 0.15 C ATOM 873 CG GLU A 56 2.658 2.259 5.892 1.00 0.17 C ATOM 874 CD GLU A 56 2.777 3.112 7.161 1.00 0.20 C ATOM 875 OE1 GLU A 56 1.851 3.858 7.446 1.00 1.13 O ATOM 876 OE2 GLU A 56 3.793 3.006 7.826 1.00 1.05 O ATOM 0 H GLU A 56 0.648 -1.371 6.024 1.00 0.12 H new ATOM 0 HA GLU A 56 1.536 0.725 4.035 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.657 1.527 6.256 1.00 0.15 H new ATOM 0 HB3 GLU A 56 1.910 0.596 7.053 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.632 1.852 5.623 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.328 2.876 5.056 1.00 0.17 H new ATOM 883 N VAL A 57 3.845 -0.331 3.906 1.00 0.12 N ATOM 884 CA VAL A 57 5.151 -1.064 3.781 1.00 0.12 C ATOM 885 C VAL A 57 6.313 -0.079 3.678 1.00 0.11 C ATOM 886 O VAL A 57 6.261 0.896 2.954 1.00 0.13 O ATOM 887 CB VAL A 57 5.125 -1.936 2.521 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.422 -2.733 2.427 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.959 -2.916 2.597 1.00 0.14 C ATOM 0 H VAL A 57 3.669 0.363 3.179 1.00 0.12 H new ATOM 0 HA VAL A 57 5.288 -1.684 4.667 1.00 0.12 H new ATOM 0 HB VAL A 57 5.014 -1.293 1.648 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.404 -3.353 1.531 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.268 -2.047 2.376 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.523 -3.369 3.306 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.944 -3.534 1.699 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.075 -3.553 3.474 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.023 -2.363 2.672 1.00 0.14 H new ATOM 899 N ASP A 58 7.370 -0.339 4.398 1.00 0.10 N ATOM 900 CA ASP A 58 8.561 0.551 4.360 1.00 0.09 C ATOM 901 C ASP A 58 9.549 0.002 3.342 1.00 0.09 C ATOM 902 O ASP A 58 10.044 -1.098 3.484 1.00 0.09 O ATOM 903 CB ASP A 58 9.226 0.537 5.730 1.00 0.10 C ATOM 904 CG ASP A 58 10.296 1.628 5.787 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.561 2.226 4.757 1.00 1.02 O ATOM 906 OD2 ASP A 58 10.835 1.846 6.860 1.00 1.05 O ATOM 0 H ASP A 58 7.458 -1.143 5.020 1.00 0.10 H new ATOM 0 HA ASP A 58 8.262 1.565 4.092 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.482 0.701 6.509 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.675 -0.438 5.918 1.00 0.10 H new ATOM 911 N VAL A 59 9.872 0.749 2.335 1.00 0.09 N ATOM 912 CA VAL A 59 10.849 0.230 1.351 1.00 0.10 C ATOM 913 C VAL A 59 12.218 0.159 2.021 1.00 0.11 C ATOM 914 O VAL A 59 13.117 -0.513 1.554 1.00 0.12 O ATOM 915 CB VAL A 59 10.904 1.175 0.154 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.553 1.156 -0.572 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.199 2.602 0.633 1.00 0.16 C ATOM 0 H VAL A 59 9.509 1.684 2.150 1.00 0.09 H new ATOM 0 HA VAL A 59 10.555 -0.762 1.008 1.00 0.10 H new ATOM 0 HB VAL A 59 11.693 0.850 -0.525 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.590 1.830 -1.427 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.339 0.144 -0.917 1.00 0.14 H new ATOM 0 HG13 VAL A 59 8.768 1.480 0.111 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.237 3.273 -0.225 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.412 2.927 1.313 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.158 2.621 1.152 1.00 0.16 H new ATOM 927 N ASP A 60 12.389 0.868 3.109 1.00 0.10 N ATOM 928 CA ASP A 60 13.707 0.862 3.812 1.00 0.12 C ATOM 929 C ASP A 60 13.746 -0.203 4.917 1.00 0.13 C ATOM 930 O ASP A 60 14.725 -0.912 5.055 1.00 0.15 O ATOM 931 CB ASP A 60 13.955 2.251 4.406 1.00 0.14 C ATOM 932 CG ASP A 60 14.462 3.193 3.310 1.00 0.16 C ATOM 933 OD1 ASP A 60 14.232 2.897 2.148 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.087 4.181 3.652 1.00 1.07 O ATOM 0 H ASP A 60 11.672 1.451 3.540 1.00 0.10 H new ATOM 0 HA ASP A 60 14.490 0.617 3.094 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.035 2.642 4.839 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.685 2.188 5.213 1.00 0.14 H new ATOM 939 N ASP A 61 12.701 -0.348 5.696 1.00 0.13 N ATOM 940 CA ASP A 61 12.720 -1.397 6.772 1.00 0.15 C ATOM 941 C ASP A 61 12.077 -2.662 6.212 1.00 0.14 C ATOM 942 O ASP A 61 12.212 -3.739 6.757 1.00 0.19 O ATOM 943 CB ASP A 61 11.938 -0.918 8.002 1.00 0.16 C ATOM 944 CG ASP A 61 12.620 0.321 8.587 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.774 0.547 8.261 1.00 1.07 O ATOM 946 OD2 ASP A 61 11.975 1.023 9.348 1.00 1.01 O ATOM 0 H ASP A 61 11.846 0.205 5.638 1.00 0.13 H new ATOM 0 HA ASP A 61 13.747 -1.594 7.078 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.910 -0.684 7.725 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.894 -1.710 8.750 1.00 0.16 H new ATOM 951 N ALA A 62 11.384 -2.526 5.109 1.00 0.11 N ATOM 952 CA ALA A 62 10.723 -3.693 4.455 1.00 0.12 C ATOM 953 C ALA A 62 11.261 -3.791 3.025 1.00 0.11 C ATOM 954 O ALA A 62 10.538 -4.071 2.090 1.00 0.12 O ATOM 955 CB ALA A 62 9.196 -3.480 4.440 1.00 0.14 C ATOM 0 H ALA A 62 11.247 -1.638 4.627 1.00 0.11 H new ATOM 0 HA ALA A 62 10.934 -4.614 4.999 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.714 -4.333 3.962 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.832 -3.384 5.463 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.961 -2.572 3.884 1.00 0.14 H new ATOM 961 N GLN A 63 12.525 -3.530 2.851 1.00 0.11 N ATOM 962 CA GLN A 63 13.119 -3.573 1.485 1.00 0.12 C ATOM 963 C GLN A 63 12.946 -4.964 0.891 1.00 0.12 C ATOM 964 O GLN A 63 12.958 -5.142 -0.309 1.00 0.14 O ATOM 965 CB GLN A 63 14.607 -3.235 1.561 1.00 0.13 C ATOM 966 CG GLN A 63 15.338 -4.328 2.342 1.00 0.15 C ATOM 967 CD GLN A 63 16.762 -3.865 2.652 1.00 0.77 C ATOM 968 OE1 GLN A 63 17.401 -3.239 1.830 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.292 -4.143 3.811 1.00 1.43 N ATOM 0 H GLN A 63 13.176 -3.288 3.598 1.00 0.11 H new ATOM 0 HA GLN A 63 12.612 -2.844 0.852 1.00 0.12 H new ATOM 0 HB2 GLN A 63 15.023 -3.150 0.557 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.747 -2.270 2.047 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.805 -4.547 3.267 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.362 -5.251 1.762 1.00 0.15 H new ATOM 0 HE21 GLN A 63 16.758 -4.668 4.503 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.240 -3.835 4.025 1.00 1.43 H new ATOM 978 N ASP A 64 12.773 -5.953 1.714 1.00 0.13 N ATOM 979 CA ASP A 64 12.584 -7.323 1.185 1.00 0.13 C ATOM 980 C ASP A 64 11.265 -7.377 0.424 1.00 0.15 C ATOM 981 O ASP A 64 11.176 -7.939 -0.649 1.00 0.16 O ATOM 982 CB ASP A 64 12.573 -8.307 2.357 1.00 0.17 C ATOM 983 CG ASP A 64 11.602 -7.812 3.424 1.00 0.21 C ATOM 984 OD1 ASP A 64 11.954 -6.883 4.133 1.00 1.05 O ATOM 985 OD2 ASP A 64 10.530 -8.365 3.514 1.00 1.02 O ATOM 0 H ASP A 64 12.754 -5.871 2.731 1.00 0.13 H new ATOM 0 HA ASP A 64 13.394 -7.591 0.507 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.277 -9.298 2.012 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.575 -8.401 2.777 1.00 0.17 H new ATOM 990 N VAL A 65 10.243 -6.786 0.963 1.00 0.17 N ATOM 991 CA VAL A 65 8.931 -6.803 0.271 1.00 0.22 C ATOM 992 C VAL A 65 9.001 -5.951 -0.998 1.00 0.22 C ATOM 993 O VAL A 65 8.516 -6.341 -2.041 1.00 0.26 O ATOM 994 CB VAL A 65 7.878 -6.220 1.221 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.484 -6.418 0.617 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.975 -6.924 2.600 1.00 0.32 C ATOM 0 H VAL A 65 10.259 -6.291 1.855 1.00 0.17 H new ATOM 0 HA VAL A 65 8.669 -7.824 -0.005 1.00 0.22 H new ATOM 0 HB VAL A 65 8.056 -5.154 1.359 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.734 -6.004 1.291 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.429 -5.908 -0.345 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.297 -7.482 0.475 1.00 0.35 H new ATOM 0 HG21 VAL A 65 7.226 -6.509 3.274 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.799 -7.993 2.476 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.968 -6.766 3.020 1.00 0.32 H new ATOM 1006 N ALA A 66 9.593 -4.793 -0.920 1.00 0.19 N ATOM 1007 CA ALA A 66 9.679 -3.926 -2.125 1.00 0.22 C ATOM 1008 C ALA A 66 10.659 -4.520 -3.138 1.00 0.23 C ATOM 1009 O ALA A 66 10.455 -4.439 -4.333 1.00 0.26 O ATOM 1010 CB ALA A 66 10.146 -2.533 -1.718 1.00 0.25 C ATOM 0 H ALA A 66 10.020 -4.411 -0.076 1.00 0.19 H new ATOM 0 HA ALA A 66 8.693 -3.862 -2.585 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.209 -1.898 -2.602 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.436 -2.103 -1.012 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.128 -2.601 -1.249 1.00 0.25 H new ATOM 1016 N SER A 67 11.726 -5.108 -2.677 1.00 0.21 N ATOM 1017 CA SER A 67 12.709 -5.693 -3.628 1.00 0.23 C ATOM 1018 C SER A 67 12.018 -6.788 -4.434 1.00 0.23 C ATOM 1019 O SER A 67 12.325 -7.021 -5.585 1.00 0.24 O ATOM 1020 CB SER A 67 13.878 -6.293 -2.848 1.00 0.23 C ATOM 1021 OG SER A 67 13.406 -7.374 -2.056 1.00 0.22 O ATOM 0 H SER A 67 11.959 -5.208 -1.689 1.00 0.21 H new ATOM 0 HA SER A 67 13.085 -4.920 -4.298 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.649 -6.640 -3.535 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.335 -5.534 -2.213 1.00 0.23 H new ATOM 0 HG SER A 67 12.472 -7.214 -1.808 1.00 0.22 H new ATOM 1027 N GLU A 68 11.072 -7.452 -3.836 1.00 0.23 N ATOM 1028 CA GLU A 68 10.341 -8.523 -4.557 1.00 0.25 C ATOM 1029 C GLU A 68 9.574 -7.912 -5.734 1.00 0.22 C ATOM 1030 O GLU A 68 9.497 -8.484 -6.802 1.00 0.24 O ATOM 1031 CB GLU A 68 9.362 -9.197 -3.597 1.00 0.29 C ATOM 1032 CG GLU A 68 8.773 -10.444 -4.254 1.00 0.32 C ATOM 1033 CD GLU A 68 7.683 -11.023 -3.353 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.227 -10.307 -2.477 1.00 1.96 O ATOM 1035 OE2 GLU A 68 7.320 -12.170 -3.557 1.00 2.06 O ATOM 0 H GLU A 68 10.773 -7.297 -2.873 1.00 0.23 H new ATOM 0 HA GLU A 68 11.047 -9.263 -4.934 1.00 0.25 H new ATOM 0 HB2 GLU A 68 9.872 -9.468 -2.673 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.564 -8.504 -3.330 1.00 0.29 H new ATOM 0 HG2 GLU A 68 8.358 -10.193 -5.230 1.00 0.32 H new ATOM 0 HG3 GLU A 68 9.555 -11.185 -4.420 1.00 0.32 H new ATOM 1042 N ALA A 69 8.986 -6.759 -5.532 1.00 0.20 N ATOM 1043 CA ALA A 69 8.202 -6.105 -6.625 1.00 0.20 C ATOM 1044 C ALA A 69 9.099 -5.215 -7.482 1.00 0.19 C ATOM 1045 O ALA A 69 8.632 -4.562 -8.394 1.00 0.20 O ATOM 1046 CB ALA A 69 7.101 -5.240 -6.012 1.00 0.23 C ATOM 0 H ALA A 69 9.015 -6.241 -4.654 1.00 0.20 H new ATOM 0 HA ALA A 69 7.772 -6.887 -7.252 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.528 -4.762 -6.807 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.439 -5.865 -5.413 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.550 -4.475 -5.378 1.00 0.23 H new ATOM 1052 N GLU A 70 10.370 -5.156 -7.196 1.00 0.18 N ATOM 1053 CA GLU A 70 11.267 -4.276 -8.002 1.00 0.18 C ATOM 1054 C GLU A 70 10.711 -2.859 -8.003 1.00 0.17 C ATOM 1055 O GLU A 70 10.553 -2.256 -9.044 1.00 0.18 O ATOM 1056 CB GLU A 70 11.357 -4.749 -9.454 1.00 0.22 C ATOM 1057 CG GLU A 70 11.909 -6.164 -9.513 1.00 0.24 C ATOM 1058 CD GLU A 70 13.342 -6.179 -8.982 1.00 1.24 C ATOM 1059 OE1 GLU A 70 13.974 -5.136 -9.011 1.00 2.02 O ATOM 1060 OE2 GLU A 70 13.784 -7.234 -8.559 1.00 2.02 O ATOM 0 H GLU A 70 10.826 -5.674 -6.445 1.00 0.18 H new ATOM 0 HA GLU A 70 12.260 -4.311 -7.553 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.370 -4.716 -9.916 1.00 0.22 H new ATOM 0 HB3 GLU A 70 11.998 -4.077 -10.024 1.00 0.22 H new ATOM 0 HG2 GLU A 70 11.284 -6.834 -8.922 1.00 0.24 H new ATOM 0 HG3 GLU A 70 11.887 -6.531 -10.539 1.00 0.24 H new ATOM 1067 N VAL A 71 10.404 -2.311 -6.865 1.00 0.15 N ATOM 1068 CA VAL A 71 9.848 -0.937 -6.875 1.00 0.14 C ATOM 1069 C VAL A 71 10.922 0.000 -7.414 1.00 0.14 C ATOM 1070 O VAL A 71 12.060 -0.022 -6.984 1.00 0.16 O ATOM 1071 CB VAL A 71 9.451 -0.522 -5.459 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.722 0.822 -5.517 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.511 -1.580 -4.870 1.00 0.15 C ATOM 0 H VAL A 71 10.511 -2.744 -5.948 1.00 0.15 H new ATOM 0 HA VAL A 71 8.959 -0.893 -7.504 1.00 0.14 H new ATOM 0 HB VAL A 71 10.341 -0.433 -4.836 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.436 1.124 -4.510 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.381 1.575 -5.948 1.00 0.14 H new ATOM 0 HG13 VAL A 71 7.829 0.725 -6.134 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.224 -1.290 -3.859 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.619 -1.661 -5.491 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.021 -2.543 -4.840 1.00 0.15 H new ATOM 1083 N LYS A 72 10.571 0.802 -8.383 1.00 0.15 N ATOM 1084 CA LYS A 72 11.561 1.730 -8.995 1.00 0.16 C ATOM 1085 C LYS A 72 11.357 3.147 -8.446 1.00 0.15 C ATOM 1086 O LYS A 72 12.191 4.011 -8.625 1.00 0.16 O ATOM 1087 CB LYS A 72 11.354 1.729 -10.515 1.00 0.19 C ATOM 1088 CG LYS A 72 11.560 0.309 -11.085 1.00 0.23 C ATOM 1089 CD LYS A 72 13.055 0.000 -11.230 1.00 0.74 C ATOM 1090 CE LYS A 72 13.225 -1.308 -12.009 1.00 0.88 C ATOM 1091 NZ LYS A 72 14.671 -1.656 -12.098 1.00 1.60 N ATOM 0 H LYS A 72 9.632 0.853 -8.779 1.00 0.15 H new ATOM 0 HA LYS A 72 12.573 1.404 -8.755 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.350 2.081 -10.752 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.053 2.421 -10.984 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.093 -0.424 -10.427 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.070 0.225 -12.055 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.558 0.815 -11.750 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.518 -0.085 -10.247 1.00 0.74 H new ATOM 0 HE2 LYS A 72 12.678 -2.111 -11.515 1.00 0.88 H new ATOM 0 HE3 LYS A 72 12.804 -1.204 -13.009 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 14.782 -2.544 -12.627 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 15.182 -0.894 -12.588 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 15.060 -1.773 -11.140 1.00 1.60 H new ATOM 1105 N ALA A 73 10.261 3.397 -7.775 1.00 0.13 N ATOM 1106 CA ALA A 73 10.034 4.766 -7.226 1.00 0.13 C ATOM 1107 C ALA A 73 8.947 4.742 -6.137 1.00 0.11 C ATOM 1108 O ALA A 73 8.103 3.873 -6.106 1.00 0.12 O ATOM 1109 CB ALA A 73 9.615 5.704 -8.368 1.00 0.14 C ATOM 0 H ALA A 73 9.522 2.720 -7.586 1.00 0.13 H new ATOM 0 HA ALA A 73 10.958 5.126 -6.775 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.448 6.706 -7.973 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.404 5.737 -9.119 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.696 5.335 -8.823 1.00 0.14 H new ATOM 1115 N THR A 74 8.960 5.721 -5.261 1.00 0.11 N ATOM 1116 CA THR A 74 7.932 5.812 -4.171 1.00 0.11 C ATOM 1117 C THR A 74 7.340 7.231 -4.187 1.00 0.12 C ATOM 1118 O THR A 74 8.004 8.152 -4.610 1.00 0.15 O ATOM 1119 CB THR A 74 8.615 5.555 -2.814 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.464 6.642 -2.502 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.422 4.265 -2.866 1.00 0.14 C ATOM 0 H THR A 74 9.650 6.472 -5.255 1.00 0.11 H new ATOM 0 HA THR A 74 7.144 5.075 -4.324 1.00 0.11 H new ATOM 0 HB THR A 74 7.851 5.457 -2.042 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.898 6.481 -1.638 1.00 0.15 H new ATOM 0 HG21 THR A 74 9.899 4.095 -1.901 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.759 3.430 -3.095 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.186 4.345 -3.640 1.00 0.14 H new ATOM 1129 N PRO A 75 6.125 7.438 -3.713 1.00 0.13 N ATOM 1130 CA PRO A 75 5.245 6.355 -3.176 1.00 0.10 C ATOM 1131 C PRO A 75 4.627 5.471 -4.270 1.00 0.09 C ATOM 1132 O PRO A 75 4.212 5.946 -5.308 1.00 0.10 O ATOM 1133 CB PRO A 75 4.163 7.169 -2.440 1.00 0.12 C ATOM 1134 CG PRO A 75 4.185 8.600 -3.006 1.00 0.15 C ATOM 1135 CD PRO A 75 5.544 8.814 -3.692 1.00 0.16 C ATOM 0 HA PRO A 75 5.787 5.644 -2.552 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.182 6.717 -2.583 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.356 7.179 -1.367 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.372 8.742 -3.718 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.041 9.329 -2.208 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.430 9.220 -4.697 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.172 9.510 -3.136 1.00 0.16 H new ATOM 1143 N THR A 76 4.524 4.187 -4.010 1.00 0.09 N ATOM 1144 CA THR A 76 3.893 3.247 -4.994 1.00 0.09 C ATOM 1145 C THR A 76 2.789 2.474 -4.285 1.00 0.10 C ATOM 1146 O THR A 76 2.962 1.972 -3.192 1.00 0.12 O ATOM 1147 CB THR A 76 4.930 2.273 -5.566 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.950 3.006 -6.227 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.254 1.317 -6.558 1.00 0.13 C ATOM 0 H THR A 76 4.853 3.747 -3.151 1.00 0.09 H new ATOM 0 HA THR A 76 3.480 3.820 -5.825 1.00 0.09 H new ATOM 0 HB THR A 76 5.367 1.692 -4.754 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.738 3.066 -5.647 1.00 0.11 H new ATOM 0 HG21 THR A 76 4.995 0.627 -6.961 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.474 0.753 -6.046 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.811 1.891 -7.372 1.00 0.13 H new ATOM 1157 N PHE A 77 1.643 2.406 -4.896 1.00 0.10 N ATOM 1158 CA PHE A 77 0.486 1.694 -4.281 1.00 0.10 C ATOM 1159 C PHE A 77 0.201 0.433 -5.104 1.00 0.10 C ATOM 1160 O PHE A 77 0.029 0.501 -6.307 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.724 2.628 -4.332 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.395 3.895 -3.572 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.564 3.966 -2.180 1.00 0.18 C ATOM 1164 CD2 PHE A 77 0.094 5.006 -4.272 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.246 5.150 -1.493 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.410 6.188 -3.589 1.00 0.16 C ATOM 1167 CZ PHE A 77 0.241 6.261 -2.199 1.00 0.19 C ATOM 0 H PHE A 77 1.453 2.819 -5.809 1.00 0.10 H new ATOM 0 HA PHE A 77 0.697 1.415 -3.249 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -0.976 2.863 -5.366 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.595 2.141 -3.894 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -0.938 3.111 -1.637 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.228 4.951 -5.342 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.376 5.205 -0.422 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.784 7.043 -4.133 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.485 7.171 -1.672 1.00 0.19 H new ATOM 1177 N GLN A 78 0.137 -0.714 -4.474 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.143 -1.984 -5.221 1.00 0.09 C ATOM 1179 C GLN A 78 -1.421 -2.598 -4.684 1.00 0.08 C ATOM 1180 O GLN A 78 -1.695 -2.564 -3.501 1.00 0.09 O ATOM 1181 CB GLN A 78 1.010 -2.977 -5.032 1.00 0.09 C ATOM 1182 CG GLN A 78 2.255 -2.486 -5.775 1.00 0.12 C ATOM 1183 CD GLN A 78 3.366 -3.530 -5.657 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.099 -4.710 -5.549 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.613 -3.140 -5.669 1.00 0.29 N ATOM 0 H GLN A 78 0.267 -0.828 -3.469 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.247 -1.760 -6.283 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.232 -3.091 -3.971 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.719 -3.959 -5.404 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.019 -2.308 -6.824 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.589 -1.536 -5.358 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.837 -2.149 -5.760 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.363 -3.827 -5.588 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.212 -3.150 -5.558 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.503 -3.771 -5.136 1.00 0.07 C ATOM 1196 C PHE A 79 -3.409 -5.286 -5.222 1.00 0.07 C ATOM 1197 O PHE A 79 -2.975 -5.833 -6.213 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.602 -3.276 -6.065 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.734 -1.796 -5.861 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.826 -0.928 -6.471 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.743 -1.292 -5.037 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.929 0.447 -6.264 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.846 0.085 -4.824 1.00 0.14 C ATOM 1204 CZ PHE A 79 -4.939 0.956 -5.437 1.00 0.12 C ATOM 0 H PHE A 79 -2.020 -3.200 -6.559 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.725 -3.494 -4.105 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.356 -3.499 -7.103 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.544 -3.779 -5.846 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.044 -1.322 -7.103 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.443 -1.966 -4.565 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.231 1.119 -6.741 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.625 0.477 -4.187 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.017 2.021 -5.273 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.832 -5.964 -4.185 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.796 -7.456 -4.174 1.00 0.08 C ATOM 1216 C PHE A 80 -5.188 -7.997 -3.857 1.00 0.09 C ATOM 1217 O PHE A 80 -5.943 -7.410 -3.106 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.794 -7.944 -3.120 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.377 -7.689 -3.591 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.727 -6.481 -3.291 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.702 -8.684 -4.312 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.591 -6.275 -3.716 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.617 -8.476 -4.730 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.263 -7.272 -4.431 1.00 0.15 C ATOM 0 H PHE A 80 -4.205 -5.540 -3.335 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.484 -7.817 -5.154 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.969 -7.430 -2.175 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.938 -9.009 -2.935 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.242 -5.713 -2.734 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.201 -9.613 -4.545 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.090 -5.344 -3.491 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.136 -9.245 -5.283 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.282 -7.112 -4.752 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.530 -9.121 -4.429 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.868 -9.725 -4.174 1.00 0.12 C ATOM 1236 C LYS A 81 -6.705 -11.252 -4.218 1.00 0.11 C ATOM 1237 O LYS A 81 -6.113 -11.795 -5.128 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.837 -9.246 -5.263 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.276 -9.569 -4.857 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.219 -9.358 -6.048 1.00 0.73 C ATOM 1241 CE LYS A 81 -10.327 -7.865 -6.377 1.00 1.02 C ATOM 1242 NZ LYS A 81 -11.452 -7.649 -7.330 1.00 1.68 N ATOM 0 H LYS A 81 -4.934 -9.649 -5.066 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.266 -9.430 -3.203 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.725 -8.173 -5.415 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.600 -9.729 -6.211 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.341 -10.600 -4.509 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.579 -8.933 -4.026 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.849 -9.904 -6.916 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -11.206 -9.759 -5.816 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -10.493 -7.291 -5.465 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -9.393 -7.509 -6.812 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -11.527 -6.636 -7.555 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -11.275 -8.185 -8.203 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.340 -7.975 -6.898 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.194 -11.944 -3.222 1.00 0.12 N ATOM 1257 CA LYS A 82 -7.030 -13.430 -3.188 1.00 0.13 C ATOM 1258 C LYS A 82 -5.544 -13.793 -3.349 1.00 0.13 C ATOM 1259 O LYS A 82 -5.207 -14.825 -3.896 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.840 -14.108 -4.299 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.341 -13.918 -4.066 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.113 -14.829 -5.028 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.611 -14.527 -4.953 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.328 -15.310 -6.001 1.00 1.22 N ATOM 0 H LYS A 82 -7.700 -11.546 -2.431 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.400 -13.786 -2.227 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.561 -13.690 -5.266 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.604 -15.172 -4.331 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.595 -14.158 -3.034 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.619 -12.877 -4.229 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.755 -14.681 -6.047 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -9.932 -15.874 -4.775 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -11.996 -14.783 -3.966 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.786 -13.461 -5.097 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.346 -15.106 -5.951 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -11.967 -15.045 -6.940 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -12.171 -16.326 -5.844 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.652 -12.964 -2.866 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.198 -13.274 -2.977 1.00 0.16 C ATOM 1280 C GLY A 83 -2.692 -13.015 -4.398 1.00 0.16 C ATOM 1281 O GLY A 83 -1.661 -13.528 -4.789 1.00 0.23 O ATOM 0 H GLY A 83 -4.871 -12.084 -2.399 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.637 -12.663 -2.270 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -3.022 -14.316 -2.708 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.401 -12.227 -5.176 1.00 0.12 N ATOM 1286 CA GLN A 84 -2.951 -11.940 -6.580 1.00 0.15 C ATOM 1287 C GLN A 84 -2.931 -10.427 -6.836 1.00 0.12 C ATOM 1288 O GLN A 84 -3.825 -9.716 -6.437 1.00 0.13 O ATOM 1289 CB GLN A 84 -3.924 -12.585 -7.569 1.00 0.20 C ATOM 1290 CG GLN A 84 -3.806 -14.109 -7.505 1.00 0.33 C ATOM 1291 CD GLN A 84 -4.706 -14.725 -8.579 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -4.330 -15.677 -9.233 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -5.892 -14.215 -8.789 1.00 2.07 N ATOM 0 H GLN A 84 -4.271 -11.771 -4.900 1.00 0.12 H new ATOM 0 HA GLN A 84 -1.948 -12.346 -6.712 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -4.945 -12.282 -7.337 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.710 -12.238 -8.580 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -2.771 -14.413 -7.661 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -4.098 -14.468 -6.518 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -6.208 -13.416 -8.240 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -6.501 -14.617 -9.502 1.00 2.07 H new ATOM 1302 N LYS A 85 -1.934 -9.938 -7.532 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.873 -8.474 -7.835 1.00 0.12 C ATOM 1304 C LYS A 85 -2.773 -8.162 -9.035 1.00 0.14 C ATOM 1305 O LYS A 85 -2.673 -8.783 -10.077 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.432 -8.083 -8.167 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.338 -6.560 -8.300 1.00 0.20 C ATOM 1308 CD LYS A 85 1.028 -6.177 -8.864 1.00 0.28 C ATOM 1309 CE LYS A 85 2.129 -6.509 -7.855 1.00 1.28 C ATOM 1310 NZ LYS A 85 3.355 -5.741 -8.208 1.00 1.82 N ATOM 0 H LYS A 85 -1.160 -10.489 -7.903 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.214 -7.909 -6.967 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.241 -8.433 -7.385 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.118 -8.561 -9.095 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -1.129 -6.193 -8.954 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.486 -6.090 -7.327 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.207 -6.711 -9.797 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.048 -5.112 -9.097 1.00 0.28 H new ATOM 0 HE2 LYS A 85 1.804 -6.257 -6.846 1.00 1.28 H new ATOM 0 HE3 LYS A 85 2.339 -7.579 -7.864 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 3.835 -5.435 -7.338 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 3.995 -6.344 -8.763 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 3.092 -4.906 -8.770 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.655 -7.200 -8.889 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.577 -6.818 -10.006 1.00 0.18 C ATOM 1326 C VAL A 86 -4.434 -5.320 -10.327 1.00 0.17 C ATOM 1327 O VAL A 86 -5.227 -4.770 -11.065 1.00 0.22 O ATOM 1328 CB VAL A 86 -6.023 -7.098 -9.586 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.267 -8.608 -9.497 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.275 -6.463 -8.220 1.00 0.26 C ATOM 0 H VAL A 86 -3.776 -6.658 -8.033 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.320 -7.402 -10.890 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.701 -6.675 -10.328 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.299 -8.793 -9.198 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -6.084 -9.064 -10.470 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.592 -9.043 -8.760 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.303 -6.657 -7.912 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.590 -6.891 -7.488 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.112 -5.387 -8.283 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.453 -4.640 -9.776 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.328 -3.177 -10.084 1.00 0.17 C ATOM 1342 C GLY A 87 -2.131 -2.543 -9.357 1.00 0.12 C ATOM 1343 O GLY A 87 -1.739 -2.966 -8.288 1.00 0.17 O ATOM 0 H GLY A 87 -2.751 -5.022 -9.143 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.215 -3.040 -11.159 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.244 -2.664 -9.792 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.565 -1.513 -9.938 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.405 -0.810 -9.309 1.00 0.13 C ATOM 1349 C GLU A 88 -0.173 0.529 -10.004 1.00 0.11 C ATOM 1350 O GLU A 88 -0.385 0.671 -11.192 1.00 0.14 O ATOM 1351 CB GLU A 88 0.866 -1.673 -9.431 1.00 0.21 C ATOM 1352 CG GLU A 88 2.117 -0.865 -9.026 1.00 0.58 C ATOM 1353 CD GLU A 88 3.339 -1.788 -9.006 1.00 1.13 C ATOM 1354 OE1 GLU A 88 3.166 -2.972 -9.248 1.00 1.93 O ATOM 1355 OE2 GLU A 88 4.427 -1.295 -8.761 1.00 1.87 O ATOM 0 H GLU A 88 -1.862 -1.125 -10.833 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.627 -0.641 -8.255 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.775 -2.554 -8.796 1.00 0.21 H new ATOM 0 HB3 GLU A 88 0.973 -2.028 -10.456 1.00 0.21 H new ATOM 0 HG2 GLU A 88 2.278 -0.047 -9.729 1.00 0.58 H new ATOM 0 HG3 GLU A 88 1.971 -0.417 -8.043 1.00 0.58 H new ATOM 1362 N PHE A 89 0.311 1.498 -9.279 1.00 0.10 N ATOM 1363 CA PHE A 89 0.618 2.811 -9.915 1.00 0.09 C ATOM 1364 C PHE A 89 1.525 3.609 -8.983 1.00 0.10 C ATOM 1365 O PHE A 89 1.651 3.307 -7.812 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.658 3.611 -10.208 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.301 4.112 -8.933 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.843 5.297 -8.348 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.365 3.415 -8.354 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.447 5.789 -7.184 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -2.970 3.903 -7.185 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.511 5.093 -6.601 1.00 0.14 C ATOM 0 H PHE A 89 0.507 1.440 -8.280 1.00 0.10 H new ATOM 0 HA PHE A 89 1.116 2.627 -10.867 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.419 4.456 -10.853 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.365 2.985 -10.752 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.020 5.835 -8.796 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.722 2.501 -8.806 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -1.091 6.705 -6.737 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.789 3.362 -6.735 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.978 5.471 -5.703 1.00 0.14 H new ATOM 1382 N SER A 90 2.166 4.616 -9.505 1.00 0.10 N ATOM 1383 CA SER A 90 3.087 5.461 -8.689 1.00 0.10 C ATOM 1384 C SER A 90 2.695 6.917 -8.836 1.00 0.09 C ATOM 1385 O SER A 90 2.032 7.296 -9.783 1.00 0.11 O ATOM 1386 CB SER A 90 4.517 5.304 -9.193 1.00 0.11 C ATOM 1387 OG SER A 90 4.578 5.721 -10.553 1.00 0.12 O ATOM 0 H SER A 90 2.090 4.896 -10.483 1.00 0.10 H new ATOM 0 HA SER A 90 3.020 5.149 -7.647 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.198 5.900 -8.586 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.836 4.266 -9.103 1.00 0.11 H new ATOM 0 HG SER A 90 5.495 5.625 -10.884 1.00 0.12 H new ATOM 1393 N GLY A 91 3.108 7.739 -7.913 1.00 0.09 N ATOM 1394 CA GLY A 91 2.788 9.196 -7.995 1.00 0.09 C ATOM 1395 C GLY A 91 2.081 9.643 -6.720 1.00 0.10 C ATOM 1396 O GLY A 91 1.290 8.920 -6.146 1.00 0.12 O ATOM 0 H GLY A 91 3.657 7.465 -7.099 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.703 9.771 -8.135 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.154 9.390 -8.860 1.00 0.09 H new ATOM 1400 N ALA A 92 2.357 10.832 -6.268 1.00 0.11 N ATOM 1401 CA ALA A 92 1.699 11.322 -5.030 1.00 0.14 C ATOM 1402 C ALA A 92 0.251 11.742 -5.332 1.00 0.13 C ATOM 1403 O ALA A 92 -0.101 12.896 -5.189 1.00 0.17 O ATOM 1404 CB ALA A 92 2.480 12.535 -4.515 1.00 0.18 C ATOM 0 H ALA A 92 3.009 11.485 -6.702 1.00 0.11 H new ATOM 0 HA ALA A 92 1.687 10.529 -4.282 1.00 0.14 H new ATOM 0 HB1 ALA A 92 2.011 12.910 -3.605 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.507 12.242 -4.300 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.478 13.318 -5.273 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.603 10.810 -5.711 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.041 11.154 -5.984 1.00 0.14 C ATOM 1412 C ASN A 93 -2.909 10.347 -5.020 1.00 0.13 C ATOM 1413 O ASN A 93 -3.247 9.210 -5.279 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.412 10.788 -7.426 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.779 11.391 -7.780 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.313 11.135 -8.841 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -4.377 12.188 -6.934 1.00 0.75 N ATOM 0 H ASN A 93 -0.364 9.827 -5.842 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.198 12.224 -5.847 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.651 11.160 -8.113 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.442 9.704 -7.540 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -5.285 12.590 -7.167 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -3.936 12.408 -6.041 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.260 10.914 -3.903 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.089 10.165 -2.915 1.00 0.15 C ATOM 1426 C LYS A 94 -5.511 9.934 -3.442 1.00 0.15 C ATOM 1427 O LYS A 94 -6.121 8.923 -3.157 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.143 10.961 -1.612 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.579 12.426 -1.887 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.424 13.390 -1.585 1.00 0.24 C ATOM 1431 CE LYS A 94 -3.906 14.829 -1.746 1.00 0.59 C ATOM 1432 NZ LYS A 94 -2.815 15.766 -1.355 1.00 1.06 N ATOM 0 H LYS A 94 -3.010 11.864 -3.629 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.634 9.189 -2.744 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -4.842 10.491 -0.921 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.165 10.951 -1.132 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -4.888 12.532 -2.927 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.442 12.678 -1.271 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.058 13.229 -0.571 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.590 13.197 -2.259 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.203 15.011 -2.779 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.786 15.000 -1.126 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.144 16.747 -1.465 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.552 15.598 -0.363 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -1.987 15.608 -1.964 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.044 10.846 -4.211 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.424 10.650 -4.740 1.00 0.15 C ATOM 1448 C GLU A 95 -7.446 9.423 -5.651 1.00 0.15 C ATOM 1449 O GLU A 95 -8.448 8.748 -5.788 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.850 11.877 -5.554 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.912 13.118 -4.651 1.00 0.19 C ATOM 1452 CD GLU A 95 -6.519 13.728 -4.486 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -5.694 13.541 -5.364 1.00 1.61 O ATOM 1454 OE2 GLU A 95 -6.302 14.373 -3.475 1.00 1.55 O ATOM 0 H GLU A 95 -5.587 11.713 -4.494 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.109 10.510 -3.904 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.145 12.045 -6.368 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.825 11.700 -6.009 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -8.590 13.855 -5.081 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -8.315 12.846 -3.675 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.346 9.150 -6.290 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.269 7.984 -7.215 1.00 0.15 C ATOM 1463 C LYS A 96 -6.543 6.705 -6.432 1.00 0.14 C ATOM 1464 O LYS A 96 -7.119 5.764 -6.940 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.868 7.937 -7.814 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.801 6.929 -8.970 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.539 7.200 -9.801 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.489 6.250 -11.006 1.00 0.82 C ATOM 1469 NZ LYS A 96 -2.244 6.505 -11.789 1.00 1.45 N ATOM 0 H LYS A 96 -5.485 9.691 -6.211 1.00 0.14 H new ATOM 0 HA LYS A 96 -7.008 8.078 -8.011 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.588 8.927 -8.173 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.148 7.662 -7.044 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.783 5.911 -8.581 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.689 7.015 -9.596 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.534 8.235 -10.143 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.651 7.064 -9.184 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -3.513 5.214 -10.667 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -4.365 6.399 -11.637 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -2.201 5.850 -12.596 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -2.248 7.485 -12.138 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -1.414 6.358 -11.179 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.137 6.662 -5.196 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.385 5.446 -4.383 1.00 0.13 C ATOM 1485 C LEU A 97 -7.886 5.210 -4.310 1.00 0.14 C ATOM 1486 O LEU A 97 -8.361 4.094 -4.343 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.879 5.669 -2.950 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.346 5.625 -2.893 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -3.868 6.310 -1.601 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -3.845 4.156 -2.920 1.00 0.19 C ATOM 0 H LEU A 97 -5.645 7.416 -4.716 1.00 0.13 H new ATOM 0 HA LEU A 97 -5.872 4.598 -4.836 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.232 6.632 -2.582 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.293 4.905 -2.292 1.00 0.13 H new ATOM 0 HG LEU A 97 -3.942 6.147 -3.761 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.779 6.282 -1.555 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.205 7.347 -1.593 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.281 5.788 -0.738 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.756 4.142 -2.879 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.247 3.619 -2.061 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.180 3.674 -3.839 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.625 6.268 -4.187 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.108 6.136 -4.068 1.00 0.15 C ATOM 1504 C GLU A 98 -10.705 5.507 -5.328 1.00 0.16 C ATOM 1505 O GLU A 98 -11.612 4.703 -5.257 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.726 7.524 -3.854 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.244 7.391 -3.670 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.853 8.767 -3.391 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.106 9.730 -3.357 1.00 2.10 O ATOM 1510 OE2 GLU A 98 -14.059 8.833 -3.209 1.00 2.00 O ATOM 0 H GLU A 98 -8.272 7.225 -4.163 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.330 5.489 -3.219 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.284 7.999 -2.978 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.508 8.165 -4.708 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.692 6.959 -4.565 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.462 6.712 -2.845 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.232 5.889 -6.475 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.809 5.339 -7.739 1.00 0.17 C ATOM 1519 C ALA A 99 -10.472 3.858 -7.927 1.00 0.16 C ATOM 1520 O ALA A 99 -11.309 3.071 -8.322 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.259 6.133 -8.922 1.00 0.19 C ATOM 0 H ALA A 99 -9.472 6.557 -6.599 1.00 0.16 H new ATOM 0 HA ALA A 99 -11.894 5.429 -7.681 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.674 5.739 -9.849 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.537 7.182 -8.817 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.173 6.046 -8.945 1.00 0.19 H new ATOM 1527 N THR A 100 -9.256 3.468 -7.684 1.00 0.16 N ATOM 1528 CA THR A 100 -8.892 2.040 -7.894 1.00 0.16 C ATOM 1529 C THR A 100 -9.673 1.151 -6.921 1.00 0.15 C ATOM 1530 O THR A 100 -10.117 0.076 -7.271 1.00 0.15 O ATOM 1531 CB THR A 100 -7.388 1.857 -7.691 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.691 2.830 -8.458 1.00 0.19 O ATOM 1533 CG2 THR A 100 -6.986 0.462 -8.167 1.00 0.20 C ATOM 0 H THR A 100 -8.502 4.069 -7.352 1.00 0.16 H new ATOM 0 HA THR A 100 -9.149 1.749 -8.913 1.00 0.16 H new ATOM 0 HB THR A 100 -7.141 1.974 -6.636 1.00 0.17 H new ATOM 0 HG1 THR A 100 -5.726 2.718 -8.330 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.914 0.324 -8.025 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.528 -0.289 -7.592 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.229 0.354 -9.224 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.854 1.594 -5.708 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.621 0.772 -4.720 1.00 0.13 C ATOM 1543 C ILE A 101 -12.030 0.580 -5.256 1.00 0.14 C ATOM 1544 O ILE A 101 -12.544 -0.513 -5.315 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.682 1.523 -3.386 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.285 1.537 -2.745 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.676 0.837 -2.438 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -9.198 2.665 -1.714 1.00 0.16 C ATOM 0 H ILE A 101 -9.507 2.486 -5.355 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.140 -0.194 -4.570 1.00 0.13 H new ATOM 0 HB ILE A 101 -11.014 2.545 -3.566 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -9.085 0.578 -2.266 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.524 1.675 -3.513 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.711 1.379 -1.493 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.667 0.833 -2.891 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.356 -0.189 -2.256 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -8.206 2.670 -1.263 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.378 3.621 -2.205 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.948 2.508 -0.939 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.641 1.654 -5.670 1.00 0.17 N ATOM 1561 CA ASN A 102 -14.009 1.571 -6.231 1.00 0.20 C ATOM 1562 C ASN A 102 -13.973 0.680 -7.469 1.00 0.19 C ATOM 1563 O ASN A 102 -14.913 -0.025 -7.772 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.473 2.979 -6.617 1.00 0.25 C ATOM 1565 CG ASN A 102 -15.884 2.918 -7.198 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.091 2.381 -8.269 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.867 3.466 -6.542 1.00 0.55 N ATOM 0 H ASN A 102 -12.244 2.593 -5.642 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.699 1.152 -5.498 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.458 3.629 -5.742 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.788 3.410 -7.347 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.811 3.445 -6.927 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.692 3.916 -5.644 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.894 0.725 -8.197 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.786 -0.099 -9.427 1.00 0.18 C ATOM 1576 C GLU A 103 -12.697 -1.585 -9.062 1.00 0.16 C ATOM 1577 O GLU A 103 -13.260 -2.436 -9.725 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.503 0.302 -10.156 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.490 -0.310 -11.559 1.00 0.21 C ATOM 1580 CD GLU A 103 -10.113 -0.098 -12.190 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -9.159 0.051 -11.445 1.00 2.04 O ATOM 1582 OE2 GLU A 103 -10.035 -0.089 -13.409 1.00 2.21 O ATOM 0 H GLU A 103 -12.078 1.301 -7.990 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.663 0.063 -10.054 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.436 1.388 -10.223 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.633 -0.037 -9.593 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -11.719 -1.374 -11.506 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -12.261 0.151 -12.177 1.00 0.21 H new ATOM 1589 N LEU A 104 -11.968 -1.903 -8.021 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.798 -3.335 -7.615 1.00 0.14 C ATOM 1591 C LEU A 104 -12.716 -3.695 -6.434 1.00 0.13 C ATOM 1592 O LEU A 104 -12.689 -4.810 -5.952 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.338 -3.561 -7.205 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.406 -3.306 -8.398 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -7.952 -3.438 -7.937 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.693 -4.319 -9.529 1.00 0.25 C ATOM 0 H LEU A 104 -11.480 -1.229 -7.431 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.066 -3.970 -8.460 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.077 -2.896 -6.382 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.208 -4.581 -6.844 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.580 -2.301 -8.781 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.285 -3.258 -8.780 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.751 -2.708 -7.153 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.783 -4.442 -7.549 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -9.025 -4.126 -10.368 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.530 -5.332 -9.160 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.727 -4.215 -9.857 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.523 -2.783 -5.953 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.419 -3.132 -4.803 1.00 0.15 C ATOM 1610 C VAL A 105 -15.463 -4.146 -5.273 1.00 0.16 C ATOM 1611 O VAL A 105 -15.858 -4.066 -6.426 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.134 -1.880 -4.265 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.217 -1.417 -5.253 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.785 -2.215 -2.917 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.852 -4.981 -4.475 1.00 1.08 O ATOM 0 H VAL A 105 -13.602 -1.826 -6.298 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.812 -3.555 -4.003 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.406 -1.079 -4.141 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.714 -0.531 -4.859 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.757 -1.179 -6.212 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.949 -2.213 -5.390 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.294 -1.332 -2.529 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.507 -3.020 -3.052 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -15.017 -2.531 -2.211 1.00 0.19 H new ATOM 1683 N LYS B 63 7.029 14.980 -5.877 1.00 0.19 N ATOM 1684 CA LYS B 63 5.888 14.014 -5.899 1.00 0.14 C ATOM 1685 C LYS B 63 6.416 12.581 -5.823 1.00 0.12 C ATOM 1686 O LYS B 63 5.685 11.660 -5.501 1.00 0.12 O ATOM 1687 CB LYS B 63 5.105 14.191 -7.208 1.00 0.17 C ATOM 1688 CG LYS B 63 4.552 15.619 -7.310 1.00 0.20 C ATOM 1689 CD LYS B 63 3.282 15.767 -6.464 1.00 0.40 C ATOM 1690 CE LYS B 63 2.691 17.162 -6.690 1.00 0.35 C ATOM 1691 NZ LYS B 63 1.417 17.298 -5.927 1.00 1.31 N ATOM 0 HA LYS B 63 5.239 14.205 -5.044 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.754 13.984 -8.059 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.286 13.473 -7.250 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.305 16.331 -6.973 1.00 0.20 H new ATOM 0 HG3 LYS B 63 4.332 15.856 -8.351 1.00 0.20 H new ATOM 0 HD2 LYS B 63 2.556 15.002 -6.738 1.00 0.40 H new ATOM 0 HD3 LYS B 63 3.514 15.623 -5.409 1.00 0.40 H new ATOM 0 HE2 LYS B 63 3.401 17.924 -6.370 1.00 0.35 H new ATOM 0 HE3 LYS B 63 2.509 17.322 -7.753 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 1.019 18.246 -6.083 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 0.739 16.580 -6.253 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 1.604 17.163 -4.913 1.00 1.31 H new ATOM 1705 N ILE B 64 7.670 12.389 -6.152 1.00 0.11 N ATOM 1706 CA ILE B 64 8.284 11.018 -6.124 1.00 0.11 C ATOM 1707 C ILE B 64 9.632 11.068 -5.384 1.00 0.10 C ATOM 1708 O ILE B 64 10.409 11.985 -5.570 1.00 0.11 O ATOM 1709 CB ILE B 64 8.546 10.555 -7.566 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.221 10.314 -8.311 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.387 9.272 -7.565 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.362 9.260 -7.596 1.00 0.15 C ATOM 0 H ILE B 64 8.305 13.132 -6.443 1.00 0.11 H new ATOM 0 HA ILE B 64 7.605 10.333 -5.617 1.00 0.11 H new ATOM 0 HB ILE B 64 9.095 11.342 -8.083 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.667 11.250 -8.383 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.429 9.987 -9.330 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.566 8.954 -8.592 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.341 9.462 -7.073 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.853 8.487 -7.030 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.433 9.113 -8.147 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.908 8.318 -7.547 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.134 9.600 -6.586 1.00 0.15 H new ATOM 1724 N CYS B 65 9.945 10.069 -4.587 1.00 0.09 N ATOM 1725 CA CYS B 65 11.276 10.045 -3.899 1.00 0.10 C ATOM 1726 C CYS B 65 12.185 9.128 -4.724 1.00 0.10 C ATOM 1727 O CYS B 65 11.793 8.039 -5.095 1.00 0.11 O ATOM 1728 CB CYS B 65 11.167 9.470 -2.476 1.00 0.10 C ATOM 1729 SG CYS B 65 9.909 10.353 -1.511 1.00 0.19 S ATOM 0 H CYS B 65 9.338 9.274 -4.385 1.00 0.09 H new ATOM 0 HA CYS B 65 11.665 11.060 -3.822 1.00 0.10 H new ATOM 0 HB2 CYS B 65 10.914 8.411 -2.526 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.132 9.544 -1.975 1.00 0.10 H new ATOM 1734 N SER B 66 13.379 9.547 -5.039 1.00 0.12 N ATOM 1735 CA SER B 66 14.276 8.676 -5.866 1.00 0.14 C ATOM 1736 C SER B 66 14.971 7.611 -5.005 1.00 0.14 C ATOM 1737 O SER B 66 15.336 7.852 -3.872 1.00 0.15 O ATOM 1738 CB SER B 66 15.346 9.538 -6.531 1.00 0.18 C ATOM 1739 OG SER B 66 14.727 10.444 -7.431 1.00 0.20 O ATOM 0 H SER B 66 13.775 10.446 -4.765 1.00 0.12 H new ATOM 0 HA SER B 66 13.662 8.176 -6.615 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.909 10.086 -5.775 1.00 0.18 H new ATOM 0 HB3 SER B 66 16.058 8.907 -7.064 1.00 0.18 H new ATOM 0 HG SER B 66 15.412 11.000 -7.858 1.00 0.20 H new ATOM 1745 N TRP B 67 15.175 6.438 -5.553 1.00 0.15 N ATOM 1746 CA TRP B 67 15.873 5.362 -4.789 1.00 0.16 C ATOM 1747 C TRP B 67 17.379 5.614 -4.833 1.00 0.19 C ATOM 1748 O TRP B 67 18.137 5.040 -4.076 1.00 0.21 O ATOM 1749 CB TRP B 67 15.559 3.988 -5.396 1.00 0.16 C ATOM 1750 CG TRP B 67 14.131 3.657 -5.122 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.086 4.392 -5.532 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.576 2.531 -4.381 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.925 3.799 -5.090 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.175 2.654 -4.371 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.142 1.427 -3.721 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.366 1.726 -3.727 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.329 0.489 -3.077 1.00 0.17 C ATOM 1758 CH2 TRP B 67 11.944 0.642 -3.078 1.00 0.16 C ATOM 0 H TRP B 67 14.887 6.181 -6.497 1.00 0.15 H new ATOM 0 HA TRP B 67 15.527 5.373 -3.756 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.745 3.998 -6.470 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.212 3.228 -4.967 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.146 5.300 -6.114 1.00 0.13 H new ATOM 0 HE1 TRP B 67 10.991 4.165 -5.274 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.215 1.302 -3.711 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.293 1.847 -3.731 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.776 -0.357 -2.577 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.320 -0.082 -2.575 1.00 0.16 H new ATOM 1769 N ASN B 68 17.824 6.486 -5.704 1.00 0.23 N ATOM 1770 CA ASN B 68 19.284 6.777 -5.777 1.00 0.27 C ATOM 1771 C ASN B 68 19.718 7.274 -4.403 1.00 0.26 C ATOM 1772 O ASN B 68 20.889 7.390 -4.103 1.00 0.30 O ATOM 1773 CB ASN B 68 19.551 7.866 -6.826 1.00 0.34 C ATOM 1774 CG ASN B 68 19.292 7.310 -8.231 1.00 0.40 C ATOM 1775 OD1 ASN B 68 19.563 7.970 -9.216 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.771 6.120 -8.368 1.00 0.40 N ATOM 0 H ASN B 68 17.242 7.004 -6.362 1.00 0.23 H new ATOM 0 HA ASN B 68 19.839 5.883 -6.061 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.908 8.727 -6.642 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.581 8.215 -6.747 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.592 5.746 -9.300 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.543 5.565 -7.543 1.00 0.40 H new