USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 700 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 95 TYR OH : rot 29:sc= 1.52 USER MOD Set 1.2: A 99 GLN : amide:sc= 0.312 K(o=1.8,f=0.79) USER MOD Set 2.1: A 50 MET CE :methyl 163:sc=-0.00834 (180deg=-0.018) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0.00741 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0321 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 1.12 K(o=1.1,f=-4.3!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0.69 (180deg=0.69) USER MOD Single : A 23 ASN : amide:sc= 0.566 K(o=0.57,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 31 ASN : amide:sc= 1.26 K(o=1.3,f=-5!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 0:sc= 0.311 USER MOD Single : A 47 SER OG : rot 146:sc= 1.24 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.0126 K(o=-0.013,f=-0.66) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00246 USER MOD Single : A 63 GLN : amide:sc= 0.91 K(o=0.91,f=-6.1!) USER MOD Single : A 67 THR OG1 : rot 63:sc= 1.18 USER MOD Single : A 68 ASN : amide:sc= 0.35 K(o=0.35,f=-3.4!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 172:sc= 0.348 (180deg=0.316) USER MOD Single : A 77 LYS NZ :NH3+ -141:sc= 0.238 (180deg=0) USER MOD Single : A 78 MET CE :methyl -177:sc= -0.0236 (180deg=-0.0326) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.155 X(o=0.15,f=-0.24) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 4.330 -0.313 -3.631 1.00 0.00 N ATOM 30 CA ASP A 3 4.278 -0.659 -5.077 1.00 0.00 C ATOM 31 C ASP A 3 5.443 0.048 -5.877 1.00 0.00 C ATOM 32 O ASP A 3 5.432 1.285 -5.946 1.00 0.00 O ATOM 33 CB ASP A 3 2.863 -0.297 -5.605 1.00 0.00 C ATOM 34 CG ASP A 3 2.612 -0.701 -7.059 1.00 0.00 C ATOM 35 OD1 ASP A 3 2.944 -0.002 -8.013 1.00 0.00 O ATOM 36 OD2 ASP A 3 2.008 -1.921 -7.166 1.00 0.00 O ATOM 0 HA ASP A 3 4.440 -1.727 -5.224 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.118 -0.779 -4.972 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.716 0.779 -5.508 1.00 0.00 H new ATOM 41 N PRO A 4 6.416 -0.664 -6.525 1.00 0.00 N ATOM 42 CA PRO A 4 7.503 -0.010 -7.311 1.00 0.00 C ATOM 43 C PRO A 4 7.139 0.651 -8.683 1.00 0.00 C ATOM 44 O PRO A 4 7.814 1.605 -9.077 1.00 0.00 O ATOM 45 CB PRO A 4 8.547 -1.138 -7.420 1.00 0.00 C ATOM 46 CG PRO A 4 7.779 -2.452 -7.295 1.00 0.00 C ATOM 47 CD PRO A 4 6.577 -2.128 -6.412 1.00 0.00 C ATOM 0 HA PRO A 4 7.845 0.892 -6.804 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.076 -1.087 -8.372 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.297 -1.050 -6.634 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.463 -2.818 -8.272 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.398 -3.230 -6.848 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.683 -2.652 -6.751 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.751 -2.429 -5.379 1.00 0.00 H new ATOM 55 N ALA A 5 6.080 0.208 -9.390 1.00 0.00 N ATOM 56 CA ALA A 5 5.521 0.942 -10.564 1.00 0.00 C ATOM 57 C ALA A 5 4.959 2.373 -10.256 1.00 0.00 C ATOM 58 O ALA A 5 5.354 3.336 -10.921 1.00 0.00 O ATOM 59 CB ALA A 5 4.487 0.018 -11.234 1.00 0.00 C ATOM 0 H ALA A 5 5.586 -0.658 -9.174 1.00 0.00 H new ATOM 0 HA ALA A 5 6.340 1.165 -11.248 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.055 0.522 -12.099 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.976 -0.902 -11.556 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.697 -0.221 -10.522 1.00 0.00 H new ATOM 65 N ALA A 6 4.130 2.534 -9.201 1.00 0.00 N ATOM 66 CA ALA A 6 3.879 3.860 -8.568 1.00 0.00 C ATOM 67 C ALA A 6 5.141 4.644 -8.065 1.00 0.00 C ATOM 68 O ALA A 6 5.234 5.851 -8.297 1.00 0.00 O ATOM 69 CB ALA A 6 2.857 3.628 -7.441 1.00 0.00 C ATOM 0 H ALA A 6 3.620 1.765 -8.765 1.00 0.00 H new ATOM 0 HA ALA A 6 3.498 4.526 -9.342 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.640 4.575 -6.946 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.938 3.220 -7.862 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.268 2.925 -6.716 1.00 0.00 H new ATOM 75 N GLY A 7 6.131 3.969 -7.445 1.00 0.00 N ATOM 76 CA GLY A 7 7.467 4.566 -7.161 1.00 0.00 C ATOM 77 C GLY A 7 8.303 5.131 -8.336 1.00 0.00 C ATOM 78 O GLY A 7 8.959 6.157 -8.162 1.00 0.00 O ATOM 0 H GLY A 7 6.036 3.004 -7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.321 5.373 -6.443 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.069 3.804 -6.665 1.00 0.00 H new ATOM 82 N GLU A 8 8.252 4.508 -9.525 1.00 0.00 N ATOM 83 CA GLU A 8 8.734 5.128 -10.795 1.00 0.00 C ATOM 84 C GLU A 8 8.011 6.455 -11.222 1.00 0.00 C ATOM 85 O GLU A 8 8.690 7.403 -11.626 1.00 0.00 O ATOM 86 CB GLU A 8 8.700 4.034 -11.896 1.00 0.00 C ATOM 87 CG GLU A 8 9.470 4.410 -13.188 1.00 0.00 C ATOM 88 CD GLU A 8 9.809 3.218 -14.078 1.00 0.00 C ATOM 89 OE1 GLU A 8 8.750 2.826 -14.844 1.00 0.00 O ATOM 90 OE2 GLU A 8 10.916 2.681 -14.083 1.00 0.00 O ATOM 0 H GLU A 8 7.880 3.566 -9.645 1.00 0.00 H new ATOM 0 HA GLU A 8 9.754 5.476 -10.630 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.120 3.113 -11.491 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.662 3.825 -12.153 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.873 5.120 -13.761 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.394 4.919 -12.913 1.00 0.00 H new ATOM 97 N LYS A 9 6.672 6.550 -11.094 1.00 0.00 N ATOM 98 CA LYS A 9 5.940 7.853 -11.175 1.00 0.00 C ATOM 99 C LYS A 9 6.354 8.912 -10.091 1.00 0.00 C ATOM 100 O LYS A 9 6.602 10.067 -10.447 1.00 0.00 O ATOM 101 CB LYS A 9 4.404 7.608 -11.187 1.00 0.00 C ATOM 102 CG LYS A 9 3.856 6.848 -12.421 1.00 0.00 C ATOM 103 CD LYS A 9 2.312 6.787 -12.503 1.00 0.00 C ATOM 104 CE LYS A 9 1.600 5.887 -11.473 1.00 0.00 C ATOM 105 NZ LYS A 9 1.841 4.451 -11.734 1.00 0.00 N ATOM 0 H LYS A 9 6.066 5.746 -10.934 1.00 0.00 H new ATOM 0 HA LYS A 9 6.241 8.307 -12.119 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.137 7.049 -10.290 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.900 8.572 -11.124 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.237 7.325 -13.324 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.247 5.831 -12.409 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.925 7.800 -12.395 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.037 6.446 -13.501 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.948 6.137 -10.471 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.528 6.085 -11.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.345 3.880 -11.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.486 4.206 -12.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.861 4.256 -11.686 1.00 0.00 H new ATOM 118 N VAL A 10 6.507 8.528 -8.803 1.00 0.00 N ATOM 119 CA VAL A 10 7.156 9.392 -7.757 1.00 0.00 C ATOM 120 C VAL A 10 8.639 9.809 -8.095 1.00 0.00 C ATOM 121 O VAL A 10 8.989 10.977 -7.898 1.00 0.00 O ATOM 122 CB VAL A 10 7.032 8.773 -6.318 1.00 0.00 C ATOM 123 CG1 VAL A 10 7.532 9.733 -5.209 1.00 0.00 C ATOM 124 CG2 VAL A 10 5.603 8.348 -5.900 1.00 0.00 C ATOM 0 H VAL A 10 6.193 7.624 -8.450 1.00 0.00 H new ATOM 0 HA VAL A 10 6.588 10.322 -7.765 1.00 0.00 H new ATOM 0 HB VAL A 10 7.659 7.885 -6.402 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.423 9.253 -4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.582 9.971 -5.380 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.944 10.650 -5.229 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.627 7.934 -4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.945 9.216 -5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.230 7.594 -6.593 1.00 0.00 H new ATOM 134 N PHE A 11 9.491 8.909 -8.639 1.00 0.00 N ATOM 135 CA PHE A 11 10.829 9.276 -9.197 1.00 0.00 C ATOM 136 C PHE A 11 10.857 10.399 -10.305 1.00 0.00 C ATOM 137 O PHE A 11 11.893 11.048 -10.455 1.00 0.00 O ATOM 138 CB PHE A 11 11.565 7.969 -9.635 1.00 0.00 C ATOM 139 CG PHE A 11 13.099 8.101 -9.762 1.00 0.00 C ATOM 140 CD1 PHE A 11 13.677 8.556 -10.952 1.00 0.00 C ATOM 141 CD2 PHE A 11 13.924 7.841 -8.664 1.00 0.00 C ATOM 142 CE1 PHE A 11 15.043 8.828 -11.015 1.00 0.00 C ATOM 143 CE2 PHE A 11 15.291 8.101 -8.732 1.00 0.00 C ATOM 144 CZ PHE A 11 15.846 8.622 -9.897 1.00 0.00 C ATOM 0 H PHE A 11 9.280 7.913 -8.707 1.00 0.00 H new ATOM 0 HA PHE A 11 11.368 9.768 -8.387 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.341 7.183 -8.914 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.162 7.646 -10.595 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.061 8.698 -11.828 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.499 7.436 -7.757 1.00 0.00 H new ATOM 0 HE1 PHE A 11 15.478 9.199 -11.931 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.921 7.898 -7.879 1.00 0.00 H new ATOM 0 HZ PHE A 11 16.897 8.866 -9.934 1.00 0.00 H new ATOM 154 N GLY A 12 9.743 10.718 -10.999 1.00 0.00 N ATOM 155 CA GLY A 12 9.555 12.038 -11.679 1.00 0.00 C ATOM 156 C GLY A 12 9.952 13.352 -10.944 1.00 0.00 C ATOM 157 O GLY A 12 10.501 14.259 -11.571 1.00 0.00 O ATOM 0 H GLY A 12 8.952 10.083 -11.109 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.117 12.005 -12.613 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.501 12.120 -11.944 1.00 0.00 H new ATOM 161 N LYS A 13 9.721 13.435 -9.623 1.00 0.00 N ATOM 162 CA LYS A 13 10.337 14.480 -8.747 1.00 0.00 C ATOM 163 C LYS A 13 11.900 14.408 -8.577 1.00 0.00 C ATOM 164 O LYS A 13 12.555 15.452 -8.528 1.00 0.00 O ATOM 165 CB LYS A 13 9.648 14.413 -7.354 1.00 0.00 C ATOM 166 CG LYS A 13 8.172 14.872 -7.303 1.00 0.00 C ATOM 167 CD LYS A 13 7.547 14.645 -5.911 1.00 0.00 C ATOM 168 CE LYS A 13 6.079 15.084 -5.776 1.00 0.00 C ATOM 169 NZ LYS A 13 5.943 16.553 -5.726 1.00 0.00 N ATOM 0 H LYS A 13 9.109 12.791 -9.123 1.00 0.00 H new ATOM 0 HA LYS A 13 10.170 15.431 -9.252 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.701 13.385 -6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.222 15.024 -6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.112 15.930 -7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.597 14.328 -8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.617 13.585 -5.667 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.140 15.182 -5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.506 14.695 -6.618 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.652 14.650 -4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.938 16.806 -5.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.469 16.923 -4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.326 16.967 -6.600 1.00 0.00 H new ATOM 182 N CYS A 14 12.487 13.203 -8.453 1.00 0.00 N ATOM 183 CA CYS A 14 13.956 13.008 -8.317 1.00 0.00 C ATOM 184 C CYS A 14 14.799 13.069 -9.648 1.00 0.00 C ATOM 185 O CYS A 14 15.946 13.527 -9.613 1.00 0.00 O ATOM 186 CB CYS A 14 14.160 11.664 -7.573 1.00 0.00 C ATOM 187 SG CYS A 14 12.971 11.334 -6.229 1.00 0.00 S ATOM 0 H CYS A 14 11.960 12.330 -8.443 1.00 0.00 H new ATOM 0 HA CYS A 14 14.348 13.860 -7.761 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.099 10.852 -8.298 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.168 11.646 -7.158 1.00 0.00 H new ATOM 0 HG CYS A 14 13.240 10.185 -5.684 1.00 0.00 H new ATOM 192 N LYS A 15 14.255 12.608 -10.799 1.00 0.00 N ATOM 193 CA LYS A 15 15.006 12.435 -12.083 1.00 0.00 C ATOM 194 C LYS A 15 15.742 13.654 -12.725 1.00 0.00 C ATOM 195 O LYS A 15 16.799 13.465 -13.331 1.00 0.00 O ATOM 196 CB LYS A 15 14.092 11.709 -13.114 1.00 0.00 C ATOM 197 CG LYS A 15 12.960 12.530 -13.778 1.00 0.00 C ATOM 198 CD LYS A 15 12.096 11.679 -14.728 1.00 0.00 C ATOM 199 CE LYS A 15 11.034 12.521 -15.453 1.00 0.00 C ATOM 200 NZ LYS A 15 10.197 11.651 -16.302 1.00 0.00 N ATOM 0 H LYS A 15 13.273 12.341 -10.872 1.00 0.00 H new ATOM 0 HA LYS A 15 15.866 11.836 -11.783 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.728 11.314 -13.906 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.637 10.854 -12.614 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.326 12.962 -13.004 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.395 13.361 -14.333 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.737 11.193 -15.464 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.606 10.888 -14.161 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.411 13.042 -14.726 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.517 13.284 -16.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.481 12.227 -16.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.795 11.174 -17.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.724 10.939 -15.710 1.00 0.00 H new ATOM 213 N ALA A 16 15.211 14.886 -12.596 1.00 0.00 N ATOM 214 CA ALA A 16 15.935 16.123 -13.010 1.00 0.00 C ATOM 215 C ALA A 16 17.339 16.381 -12.359 1.00 0.00 C ATOM 216 O ALA A 16 18.226 16.924 -13.022 1.00 0.00 O ATOM 217 CB ALA A 16 14.963 17.294 -12.768 1.00 0.00 C ATOM 0 H ALA A 16 14.283 15.060 -12.209 1.00 0.00 H new ATOM 0 HA ALA A 16 16.208 16.005 -14.059 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.442 18.230 -13.055 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.063 17.149 -13.365 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.695 17.332 -11.712 1.00 0.00 H new ATOM 223 N CYS A 17 17.539 15.977 -11.091 1.00 0.00 N ATOM 224 CA CYS A 17 18.871 15.969 -10.437 1.00 0.00 C ATOM 225 C CYS A 17 19.610 14.584 -10.392 1.00 0.00 C ATOM 226 O CYS A 17 20.836 14.556 -10.539 1.00 0.00 O ATOM 227 CB CYS A 17 18.657 16.515 -9.013 1.00 0.00 C ATOM 228 SG CYS A 17 17.732 18.081 -8.986 1.00 0.00 S ATOM 0 H CYS A 17 16.786 15.646 -10.487 1.00 0.00 H new ATOM 0 HA CYS A 17 19.538 16.584 -11.041 1.00 0.00 H new ATOM 0 HB2 CYS A 17 18.121 15.772 -8.421 1.00 0.00 H new ATOM 0 HB3 CYS A 17 19.626 16.663 -8.537 1.00 0.00 H new ATOM 0 HG CYS A 17 17.588 18.479 -7.757 1.00 0.00 H new ATOM 233 N HIS A 18 18.897 13.471 -10.120 1.00 0.00 N ATOM 234 CA HIS A 18 19.501 12.142 -9.825 1.00 0.00 C ATOM 235 C HIS A 18 19.290 11.105 -10.976 1.00 0.00 C ATOM 236 O HIS A 18 18.209 10.995 -11.563 1.00 0.00 O ATOM 237 CB HIS A 18 18.840 11.591 -8.536 1.00 0.00 C ATOM 238 CG HIS A 18 19.277 12.226 -7.220 1.00 0.00 C ATOM 239 ND1 HIS A 18 20.388 11.823 -6.526 1.00 0.00 N ATOM 240 CD2 HIS A 18 18.463 12.996 -6.392 1.00 0.00 C ATOM 241 CE1 HIS A 18 20.117 12.320 -5.288 1.00 0.00 C ATOM 242 NE2 HIS A 18 18.942 13.025 -5.066 1.00 0.00 N ATOM 0 H HIS A 18 17.877 13.463 -10.097 1.00 0.00 H new ATOM 0 HA HIS A 18 20.576 12.283 -9.711 1.00 0.00 H new ATOM 0 HB2 HIS A 18 17.760 11.709 -8.629 1.00 0.00 H new ATOM 0 HB3 HIS A 18 19.040 10.521 -8.481 1.00 0.00 H new ATOM 0 HD1 HIS A 18 21.198 11.294 -6.849 1.00 0.00 H new ATOM 0 HD2 HIS A 18 17.573 13.509 -6.725 1.00 0.00 H new ATOM 0 HE1 HIS A 18 20.816 12.166 -4.479 1.00 0.00 H new ATOM 250 N LYS A 19 20.320 10.282 -11.232 1.00 0.00 N ATOM 251 CA LYS A 19 20.300 9.255 -12.316 1.00 0.00 C ATOM 252 C LYS A 19 20.134 7.797 -11.767 1.00 0.00 C ATOM 253 O LYS A 19 20.547 7.469 -10.649 1.00 0.00 O ATOM 254 CB LYS A 19 21.621 9.402 -13.125 1.00 0.00 C ATOM 255 CG LYS A 19 21.764 10.698 -13.961 1.00 0.00 C ATOM 256 CD LYS A 19 23.192 10.887 -14.508 1.00 0.00 C ATOM 257 CE LYS A 19 23.336 12.181 -15.324 1.00 0.00 C ATOM 258 NZ LYS A 19 24.750 12.399 -15.683 1.00 0.00 N ATOM 0 H LYS A 19 21.192 10.300 -10.703 1.00 0.00 H new ATOM 0 HA LYS A 19 19.433 9.425 -12.954 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.458 9.348 -12.429 1.00 0.00 H new ATOM 0 HB3 LYS A 19 21.709 8.548 -13.797 1.00 0.00 H new ATOM 0 HG2 LYS A 19 21.060 10.671 -14.792 1.00 0.00 H new ATOM 0 HG3 LYS A 19 21.497 11.556 -13.345 1.00 0.00 H new ATOM 0 HD2 LYS A 19 23.898 10.903 -13.678 1.00 0.00 H new ATOM 0 HD3 LYS A 19 23.455 10.034 -15.134 1.00 0.00 H new ATOM 0 HE2 LYS A 19 22.729 12.120 -16.227 1.00 0.00 H new ATOM 0 HE3 LYS A 19 22.965 13.028 -14.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 24.837 13.276 -16.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 25.320 12.477 -14.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 25.091 11.598 -16.251 1.00 0.00 H new ATOM 271 N LEU A 20 19.561 6.904 -12.595 1.00 0.00 N ATOM 272 CA LEU A 20 19.467 5.436 -12.285 1.00 0.00 C ATOM 273 C LEU A 20 20.429 4.488 -13.086 1.00 0.00 C ATOM 274 O LEU A 20 20.316 3.268 -12.940 1.00 0.00 O ATOM 275 CB LEU A 20 17.983 4.992 -12.456 1.00 0.00 C ATOM 276 CG LEU A 20 16.958 5.593 -11.462 1.00 0.00 C ATOM 277 CD1 LEU A 20 15.527 5.276 -11.912 1.00 0.00 C ATOM 278 CD2 LEU A 20 17.163 5.100 -10.018 1.00 0.00 C ATOM 0 H LEU A 20 19.149 7.160 -13.492 1.00 0.00 H new ATOM 0 HA LEU A 20 19.812 5.327 -11.257 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.666 5.247 -13.467 1.00 0.00 H new ATOM 0 HB3 LEU A 20 17.941 3.906 -12.373 1.00 0.00 H new ATOM 0 HG LEU A 20 17.121 6.671 -11.465 1.00 0.00 H new ATOM 0 HD11 LEU A 20 14.819 5.705 -11.203 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.354 5.702 -12.900 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.389 4.195 -11.953 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.415 5.555 -9.368 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.059 4.015 -9.986 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.159 5.380 -9.676 1.00 0.00 H new ATOM 290 N ASP A 21 21.388 4.998 -13.884 1.00 0.00 N ATOM 291 CA ASP A 21 22.359 4.144 -14.640 1.00 0.00 C ATOM 292 C ASP A 21 23.836 4.357 -14.161 1.00 0.00 C ATOM 293 O ASP A 21 24.724 4.696 -14.951 1.00 0.00 O ATOM 294 CB ASP A 21 22.151 4.384 -16.163 1.00 0.00 C ATOM 295 CG ASP A 21 20.816 3.896 -16.728 1.00 0.00 C ATOM 296 OD1 ASP A 21 20.796 2.548 -16.916 1.00 0.00 O ATOM 297 OD2 ASP A 21 19.868 4.634 -16.976 1.00 0.00 O ATOM 0 H ASP A 21 21.521 5.999 -14.030 1.00 0.00 H new ATOM 0 HA ASP A 21 22.163 3.092 -14.434 1.00 0.00 H new ATOM 0 HB2 ASP A 21 22.241 5.452 -16.361 1.00 0.00 H new ATOM 0 HB3 ASP A 21 22.958 3.890 -16.705 1.00 0.00 H new ATOM 302 N GLY A 22 24.111 4.138 -12.860 1.00 0.00 N ATOM 303 CA GLY A 22 25.492 4.157 -12.290 1.00 0.00 C ATOM 304 C GLY A 22 26.338 5.464 -12.251 1.00 0.00 C ATOM 305 O GLY A 22 27.492 5.403 -11.827 1.00 0.00 O ATOM 0 H GLY A 22 23.389 3.942 -12.167 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.416 3.798 -11.264 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.073 3.420 -12.843 1.00 0.00 H new ATOM 309 N ASN A 23 25.804 6.611 -12.704 1.00 0.00 N ATOM 310 CA ASN A 23 26.590 7.855 -12.955 1.00 0.00 C ATOM 311 C ASN A 23 26.015 9.089 -12.182 1.00 0.00 C ATOM 312 O ASN A 23 24.819 9.189 -11.898 1.00 0.00 O ATOM 313 CB ASN A 23 26.601 8.115 -14.491 1.00 0.00 C ATOM 314 CG ASN A 23 27.571 7.244 -15.297 1.00 0.00 C ATOM 315 OD1 ASN A 23 28.738 7.576 -15.466 1.00 0.00 O ATOM 316 ND2 ASN A 23 27.145 6.122 -15.825 1.00 0.00 N ATOM 0 H ASN A 23 24.810 6.713 -12.911 1.00 0.00 H new ATOM 0 HA ASN A 23 27.605 7.716 -12.584 1.00 0.00 H new ATOM 0 HB2 ASN A 23 25.593 7.959 -14.876 1.00 0.00 H new ATOM 0 HB3 ASN A 23 26.850 9.162 -14.664 1.00 0.00 H new ATOM 0 HD21 ASN A 23 27.783 5.539 -16.368 1.00 0.00 H new ATOM 0 HD22 ASN A 23 26.176 5.832 -15.693 1.00 0.00 H new ATOM 323 N ASP A 24 26.882 10.067 -11.874 1.00 0.00 N ATOM 324 CA ASP A 24 26.495 11.294 -11.115 1.00 0.00 C ATOM 325 C ASP A 24 25.875 12.413 -12.021 1.00 0.00 C ATOM 326 O ASP A 24 26.314 12.621 -13.158 1.00 0.00 O ATOM 327 CB ASP A 24 27.760 11.828 -10.384 1.00 0.00 C ATOM 328 CG ASP A 24 28.350 10.901 -9.317 1.00 0.00 C ATOM 329 OD1 ASP A 24 27.742 11.059 -8.109 1.00 0.00 O ATOM 330 OD2 ASP A 24 29.255 10.102 -9.537 1.00 0.00 O ATOM 0 H ASP A 24 27.867 10.042 -12.137 1.00 0.00 H new ATOM 0 HA ASP A 24 25.714 11.022 -10.404 1.00 0.00 H new ATOM 0 HB2 ASP A 24 28.529 12.031 -11.129 1.00 0.00 H new ATOM 0 HB3 ASP A 24 27.512 12.780 -9.915 1.00 0.00 H new ATOM 335 N GLY A 25 24.879 13.158 -11.501 1.00 0.00 N ATOM 336 CA GLY A 25 24.343 14.375 -12.175 1.00 0.00 C ATOM 337 C GLY A 25 24.477 15.636 -11.296 1.00 0.00 C ATOM 338 O GLY A 25 25.586 16.018 -10.915 1.00 0.00 O ATOM 0 H GLY A 25 24.423 12.944 -10.614 1.00 0.00 H new ATOM 0 HA2 GLY A 25 24.873 14.531 -13.114 1.00 0.00 H new ATOM 0 HA3 GLY A 25 23.294 14.218 -12.424 1.00 0.00 H new ATOM 342 N VAL A 26 23.345 16.270 -10.951 1.00 0.00 N ATOM 343 CA VAL A 26 23.301 17.308 -9.861 1.00 0.00 C ATOM 344 C VAL A 26 23.337 16.635 -8.444 1.00 0.00 C ATOM 345 O VAL A 26 24.143 17.044 -7.605 1.00 0.00 O ATOM 346 CB VAL A 26 22.118 18.321 -10.059 1.00 0.00 C ATOM 347 CG1 VAL A 26 22.057 19.430 -8.981 1.00 0.00 C ATOM 348 CG2 VAL A 26 22.120 19.038 -11.431 1.00 0.00 C ATOM 0 H VAL A 26 22.444 16.097 -11.396 1.00 0.00 H new ATOM 0 HA VAL A 26 24.203 17.916 -9.929 1.00 0.00 H new ATOM 0 HB VAL A 26 21.247 17.670 -9.981 1.00 0.00 H new ATOM 0 HG11 VAL A 26 21.214 20.090 -9.185 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.932 18.976 -7.998 1.00 0.00 H new ATOM 0 HG13 VAL A 26 22.982 20.006 -8.999 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.271 19.720 -11.487 1.00 0.00 H new ATOM 0 HG22 VAL A 26 23.046 19.602 -11.546 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.044 18.298 -12.228 1.00 0.00 H new ATOM 358 N GLY A 27 22.508 15.605 -8.190 1.00 0.00 N ATOM 359 CA GLY A 27 22.785 14.625 -7.111 1.00 0.00 C ATOM 360 C GLY A 27 23.513 13.326 -7.579 1.00 0.00 C ATOM 361 O GLY A 27 23.653 13.095 -8.788 1.00 0.00 O ATOM 0 H GLY A 27 21.648 15.427 -8.709 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.392 15.110 -6.346 1.00 0.00 H new ATOM 0 HA3 GLY A 27 21.842 14.347 -6.641 1.00 0.00 H new ATOM 365 N PRO A 28 23.969 12.415 -6.673 1.00 0.00 N ATOM 366 CA PRO A 28 24.563 11.109 -7.080 1.00 0.00 C ATOM 367 C PRO A 28 23.559 10.069 -7.674 1.00 0.00 C ATOM 368 O PRO A 28 22.343 10.277 -7.691 1.00 0.00 O ATOM 369 CB PRO A 28 25.235 10.673 -5.759 1.00 0.00 C ATOM 370 CG PRO A 28 24.354 11.267 -4.660 1.00 0.00 C ATOM 371 CD PRO A 28 23.957 12.632 -5.212 1.00 0.00 C ATOM 0 HA PRO A 28 25.247 11.190 -7.925 1.00 0.00 H new ATOM 0 HB2 PRO A 28 25.287 9.587 -5.681 1.00 0.00 H new ATOM 0 HB3 PRO A 28 26.257 11.047 -5.692 1.00 0.00 H new ATOM 0 HG2 PRO A 28 23.481 10.644 -4.467 1.00 0.00 H new ATOM 0 HG3 PRO A 28 24.895 11.358 -3.718 1.00 0.00 H new ATOM 0 HD2 PRO A 28 22.973 12.940 -4.858 1.00 0.00 H new ATOM 0 HD3 PRO A 28 24.661 13.409 -4.913 1.00 0.00 H new ATOM 379 N HIS A 29 24.061 8.925 -8.163 1.00 0.00 N ATOM 380 CA HIS A 29 23.190 7.833 -8.681 1.00 0.00 C ATOM 381 C HIS A 29 22.318 7.156 -7.572 1.00 0.00 C ATOM 382 O HIS A 29 22.848 6.651 -6.575 1.00 0.00 O ATOM 383 CB HIS A 29 24.019 6.813 -9.503 1.00 0.00 C ATOM 384 CG HIS A 29 25.143 6.044 -8.803 1.00 0.00 C ATOM 385 ND1 HIS A 29 26.400 6.580 -8.561 1.00 0.00 N ATOM 386 CD2 HIS A 29 25.109 4.681 -8.470 1.00 0.00 C ATOM 387 CE1 HIS A 29 27.034 5.451 -8.109 1.00 0.00 C ATOM 388 NE2 HIS A 29 26.339 4.276 -7.988 1.00 0.00 N ATOM 0 H HIS A 29 25.059 8.722 -8.215 1.00 0.00 H new ATOM 0 HA HIS A 29 22.468 8.292 -9.357 1.00 0.00 H new ATOM 0 HB2 HIS A 29 23.326 6.081 -9.917 1.00 0.00 H new ATOM 0 HB3 HIS A 29 24.459 7.347 -10.345 1.00 0.00 H new ATOM 0 HD2 HIS A 29 24.246 4.041 -8.575 1.00 0.00 H new ATOM 0 HE1 HIS A 29 28.081 5.488 -7.848 1.00 0.00 H new ATOM 0 HE2 HIS A 29 26.642 3.366 -7.642 1.00 0.00 H new ATOM 396 N LEU A 30 20.986 7.158 -7.738 1.00 0.00 N ATOM 397 CA LEU A 30 20.057 6.474 -6.783 1.00 0.00 C ATOM 398 C LEU A 30 19.804 4.949 -7.020 1.00 0.00 C ATOM 399 O LEU A 30 19.218 4.314 -6.137 1.00 0.00 O ATOM 400 CB LEU A 30 18.733 7.278 -6.652 1.00 0.00 C ATOM 401 CG LEU A 30 18.821 8.658 -5.951 1.00 0.00 C ATOM 402 CD1 LEU A 30 17.469 9.383 -6.038 1.00 0.00 C ATOM 403 CD2 LEU A 30 19.239 8.591 -4.471 1.00 0.00 C ATOM 0 H LEU A 30 20.516 7.620 -8.517 1.00 0.00 H new ATOM 0 HA LEU A 30 20.588 6.476 -5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.327 7.430 -7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 30 18.015 6.665 -6.107 1.00 0.00 H new ATOM 0 HG LEU A 30 19.602 9.201 -6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.543 10.351 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.202 9.531 -7.084 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.702 8.782 -5.549 1.00 0.00 H new ATOM 0 HD21 LEU A 30 19.276 9.599 -4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.514 7.997 -3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 30 20.223 8.130 -4.391 1.00 0.00 H new ATOM 415 N ASN A 31 20.307 4.324 -8.109 1.00 0.00 N ATOM 416 CA ASN A 31 20.478 2.847 -8.165 1.00 0.00 C ATOM 417 C ASN A 31 21.537 2.370 -7.113 1.00 0.00 C ATOM 418 O ASN A 31 22.714 2.744 -7.164 1.00 0.00 O ATOM 419 CB ASN A 31 20.748 2.351 -9.611 1.00 0.00 C ATOM 420 CG ASN A 31 22.097 2.722 -10.241 1.00 0.00 C ATOM 421 OD1 ASN A 31 22.343 3.870 -10.596 1.00 0.00 O ATOM 422 ND2 ASN A 31 23.011 1.790 -10.385 1.00 0.00 N ATOM 0 H ASN A 31 20.600 4.811 -8.956 1.00 0.00 H new ATOM 0 HA ASN A 31 19.538 2.375 -7.880 1.00 0.00 H new ATOM 0 HB2 ASN A 31 20.660 1.265 -9.617 1.00 0.00 H new ATOM 0 HB3 ASN A 31 19.957 2.738 -10.254 1.00 0.00 H new ATOM 0 HD21 ASN A 31 23.918 2.023 -10.790 1.00 0.00 H new ATOM 0 HD22 ASN A 31 22.814 0.833 -10.092 1.00 0.00 H new ATOM 429 N GLY A 32 21.071 1.640 -6.095 1.00 0.00 N ATOM 430 CA GLY A 32 21.934 1.227 -4.959 1.00 0.00 C ATOM 431 C GLY A 32 22.186 2.274 -3.855 1.00 0.00 C ATOM 432 O GLY A 32 23.268 2.269 -3.272 1.00 0.00 O ATOM 0 H GLY A 32 20.106 1.319 -6.025 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.487 0.347 -4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 32 22.899 0.920 -5.361 1.00 0.00 H new ATOM 436 N VAL A 33 21.193 3.114 -3.517 1.00 0.00 N ATOM 437 CA VAL A 33 21.190 3.894 -2.241 1.00 0.00 C ATOM 438 C VAL A 33 20.728 3.073 -0.984 1.00 0.00 C ATOM 439 O VAL A 33 21.242 3.316 0.109 1.00 0.00 O ATOM 440 CB VAL A 33 20.433 5.251 -2.435 1.00 0.00 C ATOM 441 CG1 VAL A 33 18.895 5.125 -2.510 1.00 0.00 C ATOM 442 CG2 VAL A 33 20.786 6.293 -1.349 1.00 0.00 C ATOM 0 H VAL A 33 20.375 3.279 -4.103 1.00 0.00 H new ATOM 0 HA VAL A 33 22.227 4.132 -2.004 1.00 0.00 H new ATOM 0 HB VAL A 33 20.788 5.594 -3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.455 6.113 -2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.623 4.489 -3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.521 4.684 -1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.232 7.213 -1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.520 5.900 -0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.856 6.501 -1.378 1.00 0.00 H new ATOM 452 N VAL A 34 19.776 2.126 -1.120 1.00 0.00 N ATOM 453 CA VAL A 34 19.189 1.359 0.018 1.00 0.00 C ATOM 454 C VAL A 34 20.259 0.380 0.612 1.00 0.00 C ATOM 455 O VAL A 34 20.657 -0.592 -0.038 1.00 0.00 O ATOM 456 CB VAL A 34 17.868 0.635 -0.430 1.00 0.00 C ATOM 457 CG1 VAL A 34 17.187 -0.092 0.756 1.00 0.00 C ATOM 458 CG2 VAL A 34 16.798 1.578 -1.034 1.00 0.00 C ATOM 0 H VAL A 34 19.385 1.865 -2.025 1.00 0.00 H new ATOM 0 HA VAL A 34 18.907 2.043 0.818 1.00 0.00 H new ATOM 0 HB VAL A 34 18.205 -0.062 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 34 16.277 -0.581 0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.868 -0.839 1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 34 16.937 0.632 1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.919 0.998 -1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 34 16.515 2.328 -0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.205 2.073 -1.916 1.00 0.00 H new ATOM 468 N GLY A 35 20.753 0.688 1.824 1.00 0.00 N ATOM 469 CA GLY A 35 21.997 0.065 2.356 1.00 0.00 C ATOM 470 C GLY A 35 23.320 0.866 2.235 1.00 0.00 C ATOM 471 O GLY A 35 24.215 0.643 3.052 1.00 0.00 O ATOM 0 H GLY A 35 20.319 1.360 2.457 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.835 -0.156 3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 35 22.136 -0.889 1.848 1.00 0.00 H new ATOM 475 N ARG A 36 23.486 1.765 1.247 1.00 0.00 N ATOM 476 CA ARG A 36 24.772 2.481 1.002 1.00 0.00 C ATOM 477 C ARG A 36 25.118 3.553 2.085 1.00 0.00 C ATOM 478 O ARG A 36 24.237 4.222 2.630 1.00 0.00 O ATOM 479 CB ARG A 36 24.672 3.094 -0.420 1.00 0.00 C ATOM 480 CG ARG A 36 25.946 3.782 -0.983 1.00 0.00 C ATOM 481 CD ARG A 36 25.841 4.201 -2.463 1.00 0.00 C ATOM 482 NE ARG A 36 24.928 5.364 -2.650 1.00 0.00 N ATOM 483 CZ ARG A 36 24.369 5.720 -3.808 1.00 0.00 C ATOM 484 NH1 ARG A 36 24.550 5.085 -4.935 1.00 0.00 N ATOM 485 NH2 ARG A 36 23.596 6.763 -3.839 1.00 0.00 N ATOM 0 H ARG A 36 22.744 2.021 0.595 1.00 0.00 H new ATOM 0 HA ARG A 36 25.600 1.775 1.071 1.00 0.00 H new ATOM 0 HB2 ARG A 36 24.382 2.302 -1.110 1.00 0.00 H new ATOM 0 HB3 ARG A 36 23.865 3.826 -0.417 1.00 0.00 H new ATOM 0 HG2 ARG A 36 26.163 4.665 -0.382 1.00 0.00 H new ATOM 0 HG3 ARG A 36 26.791 3.103 -0.869 1.00 0.00 H new ATOM 0 HD2 ARG A 36 26.832 4.454 -2.839 1.00 0.00 H new ATOM 0 HD3 ARG A 36 25.481 3.359 -3.054 1.00 0.00 H new ATOM 0 HE ARG A 36 24.714 5.931 -1.830 1.00 0.00 H new ATOM 0 HH11 ARG A 36 25.151 4.261 -4.965 1.00 0.00 H new ATOM 0 HH12 ARG A 36 24.091 5.413 -5.785 1.00 0.00 H new ATOM 0 HH21 ARG A 36 23.424 7.296 -2.986 1.00 0.00 H new ATOM 0 HH22 ARG A 36 23.161 7.049 -4.716 1.00 0.00 H new ATOM 499 N THR A 37 26.422 3.738 2.348 1.00 0.00 N ATOM 500 CA THR A 37 26.948 4.745 3.317 1.00 0.00 C ATOM 501 C THR A 37 26.437 6.211 3.074 1.00 0.00 C ATOM 502 O THR A 37 26.313 6.662 1.927 1.00 0.00 O ATOM 503 CB THR A 37 28.509 4.639 3.304 1.00 0.00 C ATOM 504 OG1 THR A 37 28.930 3.302 3.561 1.00 0.00 O ATOM 505 CG2 THR A 37 29.240 5.491 4.354 1.00 0.00 C ATOM 0 H THR A 37 27.157 3.194 1.896 1.00 0.00 H new ATOM 0 HA THR A 37 26.557 4.512 4.308 1.00 0.00 H new ATOM 0 HB THR A 37 28.768 5.000 2.309 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.909 3.259 3.546 1.00 0.00 H new ATOM 0 HG21 THR A 37 30.316 5.343 4.258 1.00 0.00 H new ATOM 0 HG22 THR A 37 29.003 6.543 4.198 1.00 0.00 H new ATOM 0 HG23 THR A 37 28.921 5.191 5.352 1.00 0.00 H new ATOM 513 N VAL A 38 26.163 6.959 4.162 1.00 0.00 N ATOM 514 CA VAL A 38 25.861 8.425 4.080 1.00 0.00 C ATOM 515 C VAL A 38 27.150 9.209 3.650 1.00 0.00 C ATOM 516 O VAL A 38 28.190 9.121 4.310 1.00 0.00 O ATOM 517 CB VAL A 38 25.229 8.998 5.395 1.00 0.00 C ATOM 518 CG1 VAL A 38 24.830 10.486 5.247 1.00 0.00 C ATOM 519 CG2 VAL A 38 23.965 8.257 5.884 1.00 0.00 C ATOM 0 H VAL A 38 26.142 6.585 5.111 1.00 0.00 H new ATOM 0 HA VAL A 38 25.096 8.564 3.316 1.00 0.00 H new ATOM 0 HB VAL A 38 26.025 8.861 6.126 1.00 0.00 H new ATOM 0 HG11 VAL A 38 24.396 10.841 6.182 1.00 0.00 H new ATOM 0 HG12 VAL A 38 25.714 11.078 5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 38 24.098 10.589 4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 38 23.600 8.725 6.798 1.00 0.00 H new ATOM 0 HG22 VAL A 38 23.193 8.309 5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 38 24.209 7.213 6.083 1.00 0.00 H new ATOM 529 N ALA A 39 27.077 9.917 2.503 1.00 0.00 N ATOM 530 CA ALA A 39 28.276 10.349 1.724 1.00 0.00 C ATOM 531 C ALA A 39 29.123 9.167 1.127 1.00 0.00 C ATOM 532 O ALA A 39 30.327 9.047 1.367 1.00 0.00 O ATOM 533 CB ALA A 39 29.087 11.429 2.476 1.00 0.00 C ATOM 0 H ALA A 39 26.193 10.208 2.085 1.00 0.00 H new ATOM 0 HA ALA A 39 27.903 10.839 0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 39 29.951 11.718 1.878 1.00 0.00 H new ATOM 0 HB2 ALA A 39 28.458 12.302 2.649 1.00 0.00 H new ATOM 0 HB3 ALA A 39 29.425 11.030 3.432 1.00 0.00 H new ATOM 539 N GLY A 40 28.472 8.293 0.336 1.00 0.00 N ATOM 540 CA GLY A 40 29.075 7.005 -0.116 1.00 0.00 C ATOM 541 C GLY A 40 29.642 6.899 -1.550 1.00 0.00 C ATOM 542 O GLY A 40 30.436 5.991 -1.803 1.00 0.00 O ATOM 0 H GLY A 40 27.525 8.448 -0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 40 29.882 6.761 0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 40 28.316 6.231 -0.006 1.00 0.00 H new ATOM 546 N VAL A 41 29.247 7.773 -2.492 1.00 0.00 N ATOM 547 CA VAL A 41 29.784 7.757 -3.889 1.00 0.00 C ATOM 548 C VAL A 41 31.140 8.542 -3.930 1.00 0.00 C ATOM 549 O VAL A 41 31.168 9.766 -4.099 1.00 0.00 O ATOM 550 CB VAL A 41 28.700 8.261 -4.908 1.00 0.00 C ATOM 551 CG1 VAL A 41 29.207 8.335 -6.369 1.00 0.00 C ATOM 552 CG2 VAL A 41 27.428 7.379 -4.929 1.00 0.00 C ATOM 0 H VAL A 41 28.557 8.505 -2.324 1.00 0.00 H new ATOM 0 HA VAL A 41 30.009 6.738 -4.205 1.00 0.00 H new ATOM 0 HB VAL A 41 28.468 9.261 -4.542 1.00 0.00 H new ATOM 0 HG11 VAL A 41 28.404 8.691 -7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 41 30.051 9.022 -6.427 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.523 7.344 -6.695 1.00 0.00 H new ATOM 0 HG21 VAL A 41 26.719 7.780 -5.653 1.00 0.00 H new ATOM 0 HG22 VAL A 41 27.696 6.361 -5.210 1.00 0.00 H new ATOM 0 HG23 VAL A 41 26.972 7.374 -3.939 1.00 0.00 H new ATOM 562 N ASP A 42 32.265 7.812 -3.795 1.00 0.00 N ATOM 563 CA ASP A 42 33.633 8.401 -3.839 1.00 0.00 C ATOM 564 C ASP A 42 33.994 8.905 -5.280 1.00 0.00 C ATOM 565 O ASP A 42 34.066 8.124 -6.233 1.00 0.00 O ATOM 566 CB ASP A 42 34.609 7.329 -3.287 1.00 0.00 C ATOM 567 CG ASP A 42 36.024 7.836 -3.015 1.00 0.00 C ATOM 568 OD1 ASP A 42 36.085 8.628 -1.910 1.00 0.00 O ATOM 569 OD2 ASP A 42 36.994 7.564 -3.713 1.00 0.00 O ATOM 0 H ASP A 42 32.260 6.802 -3.653 1.00 0.00 H new ATOM 0 HA ASP A 42 33.702 9.293 -3.217 1.00 0.00 H new ATOM 0 HB2 ASP A 42 34.198 6.925 -2.362 1.00 0.00 H new ATOM 0 HB3 ASP A 42 34.663 6.505 -3.999 1.00 0.00 H new ATOM 574 N GLY A 43 34.133 10.230 -5.427 1.00 0.00 N ATOM 575 CA GLY A 43 33.942 10.904 -6.743 1.00 0.00 C ATOM 576 C GLY A 43 33.018 12.142 -6.689 1.00 0.00 C ATOM 577 O GLY A 43 33.388 13.203 -7.194 1.00 0.00 O ATOM 0 H GLY A 43 34.375 10.862 -4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 43 34.915 11.207 -7.129 1.00 0.00 H new ATOM 0 HA3 GLY A 43 33.528 10.186 -7.451 1.00 0.00 H new ATOM 581 N PHE A 44 31.824 12.015 -6.080 1.00 0.00 N ATOM 582 CA PHE A 44 30.922 13.169 -5.826 1.00 0.00 C ATOM 583 C PHE A 44 31.397 14.023 -4.602 1.00 0.00 C ATOM 584 O PHE A 44 31.611 13.501 -3.502 1.00 0.00 O ATOM 585 CB PHE A 44 29.492 12.595 -5.624 1.00 0.00 C ATOM 586 CG PHE A 44 28.365 13.644 -5.627 1.00 0.00 C ATOM 587 CD1 PHE A 44 27.784 14.074 -6.825 1.00 0.00 C ATOM 588 CD2 PHE A 44 27.945 14.216 -4.423 1.00 0.00 C ATOM 589 CE1 PHE A 44 26.786 15.046 -6.815 1.00 0.00 C ATOM 590 CE2 PHE A 44 26.960 15.197 -4.411 1.00 0.00 C ATOM 591 CZ PHE A 44 26.377 15.606 -5.607 1.00 0.00 C ATOM 0 H PHE A 44 31.455 11.123 -5.751 1.00 0.00 H new ATOM 0 HA PHE A 44 30.934 13.855 -6.673 1.00 0.00 H new ATOM 0 HB2 PHE A 44 29.294 11.868 -6.412 1.00 0.00 H new ATOM 0 HB3 PHE A 44 29.463 12.055 -4.677 1.00 0.00 H new ATOM 0 HD1 PHE A 44 28.111 13.650 -7.763 1.00 0.00 H new ATOM 0 HD2 PHE A 44 28.390 13.893 -3.493 1.00 0.00 H new ATOM 0 HE1 PHE A 44 26.331 15.364 -7.741 1.00 0.00 H new ATOM 0 HE2 PHE A 44 26.648 15.640 -3.477 1.00 0.00 H new ATOM 0 HZ PHE A 44 25.604 16.361 -5.598 1.00 0.00 H new ATOM 601 N ASN A 45 31.508 15.351 -4.788 1.00 0.00 N ATOM 602 CA ASN A 45 31.854 16.288 -3.685 1.00 0.00 C ATOM 603 C ASN A 45 30.596 16.632 -2.817 1.00 0.00 C ATOM 604 O ASN A 45 29.892 17.612 -3.074 1.00 0.00 O ATOM 605 CB ASN A 45 32.542 17.521 -4.335 1.00 0.00 C ATOM 606 CG ASN A 45 33.213 18.486 -3.354 1.00 0.00 C ATOM 607 OD1 ASN A 45 34.401 18.401 -3.069 1.00 0.00 O ATOM 608 ND2 ASN A 45 32.486 19.427 -2.806 1.00 0.00 N ATOM 0 H ASN A 45 31.364 15.807 -5.689 1.00 0.00 H new ATOM 0 HA ASN A 45 32.549 15.839 -2.975 1.00 0.00 H new ATOM 0 HB2 ASN A 45 33.292 17.167 -5.042 1.00 0.00 H new ATOM 0 HB3 ASN A 45 31.797 18.072 -4.909 1.00 0.00 H new ATOM 0 HD21 ASN A 45 32.910 20.081 -2.148 1.00 0.00 H new ATOM 0 HD22 ASN A 45 31.496 19.506 -3.037 1.00 0.00 H new ATOM 615 N TYR A 46 30.347 15.835 -1.767 1.00 0.00 N ATOM 616 CA TYR A 46 29.214 16.059 -0.822 1.00 0.00 C ATOM 617 C TYR A 46 29.421 17.297 0.119 1.00 0.00 C ATOM 618 O TYR A 46 30.556 17.668 0.442 1.00 0.00 O ATOM 619 CB TYR A 46 29.019 14.766 0.028 1.00 0.00 C ATOM 620 CG TYR A 46 28.511 13.513 -0.710 1.00 0.00 C ATOM 621 CD1 TYR A 46 27.140 13.316 -0.905 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.414 12.546 -1.165 1.00 0.00 C ATOM 623 CE1 TYR A 46 26.679 12.160 -1.531 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.951 11.394 -1.797 1.00 0.00 C ATOM 625 CZ TYR A 46 27.584 11.194 -1.969 1.00 0.00 C ATOM 626 OH TYR A 46 27.141 10.018 -2.515 1.00 0.00 O ATOM 0 H TYR A 46 30.915 15.019 -1.540 1.00 0.00 H new ATOM 0 HA TYR A 46 28.326 16.279 -1.415 1.00 0.00 H new ATOM 0 HB2 TYR A 46 29.973 14.521 0.495 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.319 14.992 0.833 1.00 0.00 H new ATOM 0 HD1 TYR A 46 26.436 14.063 -0.569 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.475 12.693 -1.026 1.00 0.00 H new ATOM 0 HE1 TYR A 46 25.619 12.012 -1.677 1.00 0.00 H new ATOM 0 HE2 TYR A 46 29.653 10.655 -2.154 1.00 0.00 H new ATOM 0 HH TYR A 46 26.161 10.011 -2.525 1.00 0.00 H new ATOM 636 N SER A 47 28.327 17.914 0.615 1.00 0.00 N ATOM 637 CA SER A 47 28.427 18.985 1.655 1.00 0.00 C ATOM 638 C SER A 47 28.985 18.486 3.038 1.00 0.00 C ATOM 639 O SER A 47 28.874 17.308 3.393 1.00 0.00 O ATOM 640 CB SER A 47 27.089 19.768 1.769 1.00 0.00 C ATOM 641 OG SER A 47 26.112 19.116 2.585 1.00 0.00 O ATOM 0 H SER A 47 27.373 17.700 0.323 1.00 0.00 H new ATOM 0 HA SER A 47 29.187 19.688 1.313 1.00 0.00 H new ATOM 0 HB2 SER A 47 27.291 20.758 2.179 1.00 0.00 H new ATOM 0 HB3 SER A 47 26.677 19.914 0.770 1.00 0.00 H new ATOM 0 HG SER A 47 25.579 19.789 3.058 1.00 0.00 H new ATOM 647 N ASP A 48 29.612 19.391 3.819 1.00 0.00 N ATOM 648 CA ASP A 48 30.243 19.030 5.129 1.00 0.00 C ATOM 649 C ASP A 48 29.318 18.357 6.211 1.00 0.00 C ATOM 650 O ASP A 48 29.751 17.315 6.714 1.00 0.00 O ATOM 651 CB ASP A 48 31.046 20.245 5.670 1.00 0.00 C ATOM 652 CG ASP A 48 32.382 20.582 4.988 1.00 0.00 C ATOM 653 OD1 ASP A 48 32.398 20.278 3.655 1.00 0.00 O ATOM 654 OD2 ASP A 48 33.325 21.083 5.591 1.00 0.00 O ATOM 0 H ASP A 48 29.701 20.378 3.575 1.00 0.00 H new ATOM 0 HA ASP A 48 30.922 18.207 4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 48 30.406 21.125 5.606 1.00 0.00 H new ATOM 0 HB3 ASP A 48 31.244 20.071 6.728 1.00 0.00 H new ATOM 659 N PRO A 49 28.076 18.804 6.573 1.00 0.00 N ATOM 660 CA PRO A 49 27.152 17.988 7.414 1.00 0.00 C ATOM 661 C PRO A 49 26.605 16.653 6.808 1.00 0.00 C ATOM 662 O PRO A 49 26.285 15.752 7.581 1.00 0.00 O ATOM 663 CB PRO A 49 26.060 18.996 7.808 1.00 0.00 C ATOM 664 CG PRO A 49 26.098 20.089 6.744 1.00 0.00 C ATOM 665 CD PRO A 49 27.504 20.095 6.149 1.00 0.00 C ATOM 0 HA PRO A 49 27.689 17.562 8.261 1.00 0.00 H new ATOM 0 HB2 PRO A 49 25.081 18.518 7.842 1.00 0.00 H new ATOM 0 HB3 PRO A 49 26.248 19.409 8.799 1.00 0.00 H new ATOM 0 HG2 PRO A 49 25.354 19.898 5.970 1.00 0.00 H new ATOM 0 HG3 PRO A 49 25.862 21.059 7.181 1.00 0.00 H new ATOM 0 HD2 PRO A 49 27.477 20.182 5.063 1.00 0.00 H new ATOM 0 HD3 PRO A 49 28.092 20.934 6.522 1.00 0.00 H new ATOM 673 N MET A 50 26.538 16.481 5.472 1.00 0.00 N ATOM 674 CA MET A 50 26.377 15.136 4.837 1.00 0.00 C ATOM 675 C MET A 50 27.600 14.178 5.055 1.00 0.00 C ATOM 676 O MET A 50 27.404 13.042 5.494 1.00 0.00 O ATOM 677 CB MET A 50 25.996 15.362 3.349 1.00 0.00 C ATOM 678 CG MET A 50 25.619 14.096 2.550 1.00 0.00 C ATOM 679 SD MET A 50 24.207 13.239 3.278 1.00 0.00 S ATOM 680 CE MET A 50 22.840 14.143 2.533 1.00 0.00 C ATOM 0 H MET A 50 26.592 17.250 4.804 1.00 0.00 H new ATOM 0 HA MET A 50 25.573 14.592 5.332 1.00 0.00 H new ATOM 0 HB2 MET A 50 25.156 16.056 3.310 1.00 0.00 H new ATOM 0 HB3 MET A 50 26.834 15.848 2.849 1.00 0.00 H new ATOM 0 HG2 MET A 50 25.386 14.371 1.521 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.474 13.421 2.513 1.00 0.00 H new ATOM 0 HE1 MET A 50 21.923 13.563 2.634 1.00 0.00 H new ATOM 0 HE2 MET A 50 22.720 15.102 3.037 1.00 0.00 H new ATOM 0 HE3 MET A 50 23.048 14.312 1.477 1.00 0.00 H new ATOM 690 N LYS A 51 28.845 14.640 4.818 1.00 0.00 N ATOM 691 CA LYS A 51 30.085 13.918 5.243 1.00 0.00 C ATOM 692 C LYS A 51 30.206 13.608 6.776 1.00 0.00 C ATOM 693 O LYS A 51 30.523 12.474 7.143 1.00 0.00 O ATOM 694 CB LYS A 51 31.337 14.677 4.716 1.00 0.00 C ATOM 695 CG LYS A 51 31.475 14.781 3.175 1.00 0.00 C ATOM 696 CD LYS A 51 32.775 15.450 2.681 1.00 0.00 C ATOM 697 CE LYS A 51 32.873 16.950 3.003 1.00 0.00 C ATOM 698 NZ LYS A 51 34.077 17.536 2.384 1.00 0.00 N ATOM 0 H LYS A 51 29.030 15.517 4.331 1.00 0.00 H new ATOM 0 HA LYS A 51 30.017 12.929 4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 51 31.325 15.686 5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 51 32.227 14.184 5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 51 31.416 13.778 2.751 1.00 0.00 H new ATOM 0 HG3 LYS A 51 30.625 15.342 2.786 1.00 0.00 H new ATOM 0 HD2 LYS A 51 33.627 14.937 3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 51 32.852 15.316 1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 51 31.983 17.464 2.639 1.00 0.00 H new ATOM 0 HE3 LYS A 51 32.906 17.094 4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 34.126 18.549 2.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 34.924 17.057 2.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 34.030 17.415 1.352 1.00 0.00 H new ATOM 711 N ALA A 52 29.930 14.584 7.661 1.00 0.00 N ATOM 712 CA ALA A 52 29.889 14.362 9.131 1.00 0.00 C ATOM 713 C ALA A 52 28.686 13.566 9.746 1.00 0.00 C ATOM 714 O ALA A 52 28.789 13.159 10.906 1.00 0.00 O ATOM 715 CB ALA A 52 29.985 15.767 9.747 1.00 0.00 C ATOM 0 H ALA A 52 29.729 15.546 7.386 1.00 0.00 H new ATOM 0 HA ALA A 52 30.711 13.687 9.368 1.00 0.00 H new ATOM 0 HB1 ALA A 52 29.961 15.690 10.834 1.00 0.00 H new ATOM 0 HB2 ALA A 52 30.918 16.237 9.437 1.00 0.00 H new ATOM 0 HB3 ALA A 52 29.144 16.371 9.408 1.00 0.00 H new ATOM 721 N HIS A 53 27.572 13.327 9.021 1.00 0.00 N ATOM 722 CA HIS A 53 26.419 12.525 9.531 1.00 0.00 C ATOM 723 C HIS A 53 26.757 11.021 9.825 1.00 0.00 C ATOM 724 O HIS A 53 26.522 10.558 10.944 1.00 0.00 O ATOM 725 CB HIS A 53 25.231 12.736 8.549 1.00 0.00 C ATOM 726 CG HIS A 53 23.875 12.167 8.979 1.00 0.00 C ATOM 727 ND1 HIS A 53 23.445 10.882 8.688 1.00 0.00 N ATOM 728 CD2 HIS A 53 22.863 12.884 9.637 1.00 0.00 C ATOM 729 CE1 HIS A 53 22.185 10.938 9.221 1.00 0.00 C ATOM 730 NE2 HIS A 53 21.740 12.095 9.802 1.00 0.00 N ATOM 0 H HIS A 53 27.439 13.678 8.072 1.00 0.00 H new ATOM 0 HA HIS A 53 26.138 12.885 10.520 1.00 0.00 H new ATOM 0 HB2 HIS A 53 25.113 13.807 8.382 1.00 0.00 H new ATOM 0 HB3 HIS A 53 25.498 12.291 7.590 1.00 0.00 H new ATOM 0 HD2 HIS A 53 22.950 13.908 9.968 1.00 0.00 H new ATOM 0 HE1 HIS A 53 21.543 10.070 9.183 1.00 0.00 H new ATOM 0 HE2 HIS A 53 20.841 12.312 10.232 1.00 0.00 H new ATOM 738 N GLY A 54 27.307 10.276 8.846 1.00 0.00 N ATOM 739 CA GLY A 54 27.734 8.870 9.061 1.00 0.00 C ATOM 740 C GLY A 54 26.627 7.792 9.008 1.00 0.00 C ATOM 741 O GLY A 54 25.433 8.065 8.856 1.00 0.00 O ATOM 0 H GLY A 54 27.468 10.619 7.899 1.00 0.00 H new ATOM 0 HA2 GLY A 54 28.485 8.624 8.310 1.00 0.00 H new ATOM 0 HA3 GLY A 54 28.223 8.808 10.033 1.00 0.00 H new ATOM 745 N GLY A 55 27.056 6.527 9.120 1.00 0.00 N ATOM 746 CA GLY A 55 26.138 5.367 8.976 1.00 0.00 C ATOM 747 C GLY A 55 25.723 5.040 7.522 1.00 0.00 C ATOM 748 O GLY A 55 26.483 5.263 6.576 1.00 0.00 O ATOM 0 H GLY A 55 28.025 6.272 9.309 1.00 0.00 H new ATOM 0 HA2 GLY A 55 26.616 4.488 9.408 1.00 0.00 H new ATOM 0 HA3 GLY A 55 25.238 5.560 9.560 1.00 0.00 H new ATOM 752 N ASP A 56 24.517 4.479 7.356 1.00 0.00 N ATOM 753 CA ASP A 56 24.019 4.004 6.032 1.00 0.00 C ATOM 754 C ASP A 56 22.562 4.489 5.762 1.00 0.00 C ATOM 755 O ASP A 56 21.754 4.672 6.682 1.00 0.00 O ATOM 756 CB ASP A 56 24.103 2.451 5.927 1.00 0.00 C ATOM 757 CG ASP A 56 25.516 1.844 5.985 1.00 0.00 C ATOM 758 OD1 ASP A 56 26.221 1.881 6.990 1.00 0.00 O ATOM 759 OD2 ASP A 56 25.903 1.261 4.809 1.00 0.00 O ATOM 0 H ASP A 56 23.856 4.337 8.120 1.00 0.00 H new ATOM 0 HA ASP A 56 24.665 4.437 5.268 1.00 0.00 H new ATOM 0 HB2 ASP A 56 23.511 2.020 6.734 1.00 0.00 H new ATOM 0 HB3 ASP A 56 23.636 2.145 4.991 1.00 0.00 H new ATOM 764 N TRP A 57 22.196 4.609 4.472 1.00 0.00 N ATOM 765 CA TRP A 57 20.794 4.877 4.049 1.00 0.00 C ATOM 766 C TRP A 57 19.887 3.608 4.142 1.00 0.00 C ATOM 767 O TRP A 57 19.528 2.957 3.156 1.00 0.00 O ATOM 768 CB TRP A 57 20.789 5.532 2.641 1.00 0.00 C ATOM 769 CG TRP A 57 21.260 6.989 2.594 1.00 0.00 C ATOM 770 CD1 TRP A 57 22.435 7.448 1.968 1.00 0.00 C ATOM 771 CD2 TRP A 57 20.712 8.098 3.221 1.00 0.00 C ATOM 772 NE1 TRP A 57 22.627 8.826 2.179 1.00 0.00 N ATOM 773 CE2 TRP A 57 21.560 9.202 2.970 1.00 0.00 C ATOM 774 CE3 TRP A 57 19.599 8.232 4.094 1.00 0.00 C ATOM 775 CZ2 TRP A 57 21.320 10.442 3.602 1.00 0.00 C ATOM 776 CZ3 TRP A 57 19.394 9.460 4.721 1.00 0.00 C ATOM 777 CH2 TRP A 57 20.244 10.548 4.483 1.00 0.00 C ATOM 0 H TRP A 57 22.851 4.525 3.695 1.00 0.00 H new ATOM 0 HA TRP A 57 20.349 5.585 4.748 1.00 0.00 H new ATOM 0 HB2 TRP A 57 21.424 4.941 1.981 1.00 0.00 H new ATOM 0 HB3 TRP A 57 19.777 5.482 2.239 1.00 0.00 H new ATOM 0 HD1 TRP A 57 23.105 6.821 1.398 1.00 0.00 H new ATOM 0 HE1 TRP A 57 23.383 9.414 1.827 1.00 0.00 H new ATOM 0 HE3 TRP A 57 18.929 7.403 4.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.957 11.292 3.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 18.564 9.575 5.403 1.00 0.00 H new ATOM 0 HH2 TRP A 57 20.063 11.484 4.990 1.00 0.00 H new ATOM 788 N THR A 58 19.493 3.309 5.384 1.00 0.00 N ATOM 789 CA THR A 58 18.455 2.300 5.722 1.00 0.00 C ATOM 790 C THR A 58 17.004 2.786 5.339 1.00 0.00 C ATOM 791 O THR A 58 16.790 4.000 5.209 1.00 0.00 O ATOM 792 CB THR A 58 18.559 1.972 7.250 1.00 0.00 C ATOM 793 OG1 THR A 58 18.313 3.122 8.054 1.00 0.00 O ATOM 794 CG2 THR A 58 19.896 1.366 7.716 1.00 0.00 C ATOM 0 H THR A 58 19.888 3.765 6.207 1.00 0.00 H new ATOM 0 HA THR A 58 18.635 1.399 5.136 1.00 0.00 H new ATOM 0 HB THR A 58 17.790 1.211 7.383 1.00 0.00 H new ATOM 0 HG1 THR A 58 18.384 2.880 9.001 1.00 0.00 H new ATOM 0 HG21 THR A 58 19.856 1.179 8.789 1.00 0.00 H new ATOM 0 HG22 THR A 58 20.073 0.427 7.191 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.706 2.062 7.498 1.00 0.00 H new ATOM 802 N PRO A 59 15.957 1.918 5.189 1.00 0.00 N ATOM 803 CA PRO A 59 14.562 2.390 4.939 1.00 0.00 C ATOM 804 C PRO A 59 13.931 3.354 6.005 1.00 0.00 C ATOM 805 O PRO A 59 13.242 4.297 5.617 1.00 0.00 O ATOM 806 CB PRO A 59 13.799 1.074 4.687 1.00 0.00 C ATOM 807 CG PRO A 59 14.633 -0.029 5.344 1.00 0.00 C ATOM 808 CD PRO A 59 16.083 0.448 5.248 1.00 0.00 C ATOM 0 HA PRO A 59 14.516 3.077 4.094 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.798 1.115 5.117 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.680 0.890 3.619 1.00 0.00 H new ATOM 0 HG2 PRO A 59 14.337 -0.180 6.382 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.498 -0.982 4.832 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.669 0.129 6.110 1.00 0.00 H new ATOM 0 HD3 PRO A 59 16.579 0.051 4.362 1.00 0.00 H new ATOM 816 N GLU A 60 14.235 3.192 7.309 1.00 0.00 N ATOM 817 CA GLU A 60 13.972 4.232 8.351 1.00 0.00 C ATOM 818 C GLU A 60 14.707 5.606 8.136 1.00 0.00 C ATOM 819 O GLU A 60 14.045 6.648 8.158 1.00 0.00 O ATOM 820 CB GLU A 60 14.260 3.582 9.733 1.00 0.00 C ATOM 821 CG GLU A 60 13.844 4.435 10.958 1.00 0.00 C ATOM 822 CD GLU A 60 14.121 3.751 12.294 1.00 0.00 C ATOM 823 OE1 GLU A 60 15.201 3.795 12.874 1.00 0.00 O ATOM 824 OE2 GLU A 60 13.035 3.083 12.770 1.00 0.00 O ATOM 0 H GLU A 60 14.668 2.345 7.678 1.00 0.00 H new ATOM 0 HA GLU A 60 12.927 4.535 8.281 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.741 2.625 9.783 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.327 3.370 9.803 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.377 5.386 10.927 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.780 4.663 10.888 1.00 0.00 H new ATOM 831 N ALA A 61 16.036 5.623 7.895 1.00 0.00 N ATOM 832 CA ALA A 61 16.770 6.859 7.494 1.00 0.00 C ATOM 833 C ALA A 61 16.280 7.567 6.183 1.00 0.00 C ATOM 834 O ALA A 61 16.139 8.793 6.173 1.00 0.00 O ATOM 835 CB ALA A 61 18.266 6.494 7.434 1.00 0.00 C ATOM 0 H ALA A 61 16.630 4.797 7.969 1.00 0.00 H new ATOM 0 HA ALA A 61 16.563 7.620 8.246 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.843 7.372 7.143 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.596 6.151 8.414 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.418 5.701 6.702 1.00 0.00 H new ATOM 841 N LEU A 62 15.967 6.811 5.111 1.00 0.00 N ATOM 842 CA LEU A 62 15.243 7.340 3.917 1.00 0.00 C ATOM 843 C LEU A 62 13.786 7.853 4.191 1.00 0.00 C ATOM 844 O LEU A 62 13.452 8.940 3.720 1.00 0.00 O ATOM 845 CB LEU A 62 15.270 6.273 2.785 1.00 0.00 C ATOM 846 CG LEU A 62 16.653 5.928 2.165 1.00 0.00 C ATOM 847 CD1 LEU A 62 16.544 4.661 1.302 1.00 0.00 C ATOM 848 CD2 LEU A 62 17.221 7.079 1.312 1.00 0.00 C ATOM 0 H LEU A 62 16.203 5.821 5.040 1.00 0.00 H new ATOM 0 HA LEU A 62 15.779 8.237 3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.837 5.353 3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.616 6.615 1.983 1.00 0.00 H new ATOM 0 HG LEU A 62 17.339 5.761 2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.518 4.428 0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.212 3.827 1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.825 4.828 0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 62 18.188 6.786 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.533 7.300 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.344 7.966 1.933 1.00 0.00 H new ATOM 860 N GLN A 63 12.935 7.151 4.973 1.00 0.00 N ATOM 861 CA GLN A 63 11.667 7.727 5.532 1.00 0.00 C ATOM 862 C GLN A 63 11.815 9.101 6.280 1.00 0.00 C ATOM 863 O GLN A 63 11.063 10.037 5.993 1.00 0.00 O ATOM 864 CB GLN A 63 10.979 6.668 6.446 1.00 0.00 C ATOM 865 CG GLN A 63 10.268 5.487 5.734 1.00 0.00 C ATOM 866 CD GLN A 63 8.921 5.804 5.079 1.00 0.00 C ATOM 867 OE1 GLN A 63 8.285 6.828 5.316 1.00 0.00 O ATOM 868 NE2 GLN A 63 8.425 4.919 4.251 1.00 0.00 N ATOM 0 H GLN A 63 13.095 6.179 5.239 1.00 0.00 H new ATOM 0 HA GLN A 63 11.044 7.963 4.669 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.733 6.256 7.116 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.246 7.181 7.068 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.938 5.096 4.968 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.116 4.690 6.462 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.944 4.065 4.046 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.520 5.084 3.811 1.00 0.00 H new ATOM 877 N GLU A 64 12.799 9.235 7.189 1.00 0.00 N ATOM 878 CA GLU A 64 13.183 10.536 7.812 1.00 0.00 C ATOM 879 C GLU A 64 13.670 11.619 6.789 1.00 0.00 C ATOM 880 O GLU A 64 13.043 12.677 6.677 1.00 0.00 O ATOM 881 CB GLU A 64 14.245 10.261 8.919 1.00 0.00 C ATOM 882 CG GLU A 64 13.752 9.464 10.152 1.00 0.00 C ATOM 883 CD GLU A 64 14.882 9.020 11.078 1.00 0.00 C ATOM 884 OE1 GLU A 64 15.222 9.989 11.978 1.00 0.00 O ATOM 885 OE2 GLU A 64 15.420 7.918 11.006 1.00 0.00 O ATOM 0 H GLU A 64 13.357 8.448 7.519 1.00 0.00 H new ATOM 0 HA GLU A 64 12.286 10.972 8.251 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.077 9.718 8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.638 11.218 9.263 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.050 10.079 10.716 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.204 8.585 9.812 1.00 0.00 H new ATOM 892 N PHE A 65 14.765 11.368 6.045 1.00 0.00 N ATOM 893 CA PHE A 65 15.324 12.331 5.049 1.00 0.00 C ATOM 894 C PHE A 65 14.388 12.711 3.855 1.00 0.00 C ATOM 895 O PHE A 65 14.343 13.882 3.480 1.00 0.00 O ATOM 896 CB PHE A 65 16.691 11.756 4.593 1.00 0.00 C ATOM 897 CG PHE A 65 17.567 12.689 3.736 1.00 0.00 C ATOM 898 CD1 PHE A 65 18.313 13.708 4.338 1.00 0.00 C ATOM 899 CD2 PHE A 65 17.643 12.511 2.350 1.00 0.00 C ATOM 900 CE1 PHE A 65 19.116 14.541 3.563 1.00 0.00 C ATOM 901 CE2 PHE A 65 18.450 13.344 1.580 1.00 0.00 C ATOM 902 CZ PHE A 65 19.182 14.361 2.184 1.00 0.00 C ATOM 0 H PHE A 65 15.293 10.497 6.110 1.00 0.00 H new ATOM 0 HA PHE A 65 15.439 13.298 5.538 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.257 11.473 5.480 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.507 10.843 4.027 1.00 0.00 H new ATOM 0 HD1 PHE A 65 18.266 13.849 5.408 1.00 0.00 H new ATOM 0 HD2 PHE A 65 17.074 11.725 1.876 1.00 0.00 H new ATOM 0 HE1 PHE A 65 19.688 15.328 4.032 1.00 0.00 H new ATOM 0 HE2 PHE A 65 18.508 13.200 0.511 1.00 0.00 H new ATOM 0 HZ PHE A 65 19.801 15.011 1.583 1.00 0.00 H new ATOM 912 N LEU A 66 13.629 11.770 3.271 1.00 0.00 N ATOM 913 CA LEU A 66 12.581 12.104 2.263 1.00 0.00 C ATOM 914 C LEU A 66 11.273 12.756 2.833 1.00 0.00 C ATOM 915 O LEU A 66 10.560 13.392 2.058 1.00 0.00 O ATOM 916 CB LEU A 66 12.299 10.873 1.353 1.00 0.00 C ATOM 917 CG LEU A 66 13.513 10.201 0.649 1.00 0.00 C ATOM 918 CD1 LEU A 66 13.058 8.981 -0.165 1.00 0.00 C ATOM 919 CD2 LEU A 66 14.301 11.176 -0.244 1.00 0.00 C ATOM 0 H LEU A 66 13.712 10.773 3.471 1.00 0.00 H new ATOM 0 HA LEU A 66 12.999 12.906 1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.801 10.116 1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.592 11.181 0.582 1.00 0.00 H new ATOM 0 HG LEU A 66 14.191 9.876 1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.921 8.525 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.589 8.255 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.341 9.296 -0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.136 10.651 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.644 11.571 -1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.682 11.998 0.362 1.00 0.00 H new ATOM 931 N THR A 67 10.972 12.689 4.151 1.00 0.00 N ATOM 932 CA THR A 67 9.986 13.599 4.811 1.00 0.00 C ATOM 933 C THR A 67 10.431 15.106 4.785 1.00 0.00 C ATOM 934 O THR A 67 9.663 15.941 4.304 1.00 0.00 O ATOM 935 CB THR A 67 9.664 13.081 6.249 1.00 0.00 C ATOM 936 OG1 THR A 67 9.216 11.729 6.230 1.00 0.00 O ATOM 937 CG2 THR A 67 8.542 13.852 6.954 1.00 0.00 C ATOM 0 H THR A 67 11.396 12.014 4.787 1.00 0.00 H new ATOM 0 HA THR A 67 9.063 13.576 4.231 1.00 0.00 H new ATOM 0 HB THR A 67 10.607 13.210 6.781 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.929 11.153 5.884 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.379 13.431 7.946 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.824 14.901 7.046 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.624 13.773 6.371 1.00 0.00 H new ATOM 945 N ASN A 68 11.638 15.458 5.280 1.00 0.00 N ATOM 946 CA ASN A 68 12.235 16.809 5.078 1.00 0.00 C ATOM 947 C ASN A 68 13.805 16.677 5.071 1.00 0.00 C ATOM 948 O ASN A 68 14.368 16.381 6.134 1.00 0.00 O ATOM 949 CB ASN A 68 11.706 17.804 6.149 1.00 0.00 C ATOM 950 CG ASN A 68 12.097 19.274 5.911 1.00 0.00 C ATOM 951 OD1 ASN A 68 13.246 19.623 5.657 1.00 0.00 O ATOM 952 ND2 ASN A 68 11.171 20.194 6.015 1.00 0.00 N ATOM 0 H ASN A 68 12.225 14.827 5.825 1.00 0.00 H new ATOM 0 HA ASN A 68 11.934 17.220 4.114 1.00 0.00 H new ATOM 0 HB2 ASN A 68 10.619 17.733 6.186 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.079 17.497 7.126 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.412 21.177 5.886 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.209 19.928 6.225 1.00 0.00 H new ATOM 959 N PRO A 69 14.559 16.902 3.952 1.00 0.00 N ATOM 960 CA PRO A 69 16.032 16.668 3.925 1.00 0.00 C ATOM 961 C PRO A 69 16.927 17.719 4.651 1.00 0.00 C ATOM 962 O PRO A 69 17.818 17.338 5.414 1.00 0.00 O ATOM 963 CB PRO A 69 16.303 16.518 2.418 1.00 0.00 C ATOM 964 CG PRO A 69 15.221 17.339 1.720 1.00 0.00 C ATOM 965 CD PRO A 69 13.991 17.201 2.619 1.00 0.00 C ATOM 0 HA PRO A 69 16.314 15.796 4.515 1.00 0.00 H new ATOM 0 HB2 PRO A 69 17.298 16.882 2.161 1.00 0.00 H new ATOM 0 HB3 PRO A 69 16.258 15.472 2.114 1.00 0.00 H new ATOM 0 HG2 PRO A 69 15.520 18.382 1.615 1.00 0.00 H new ATOM 0 HG3 PRO A 69 15.023 16.962 0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 69 13.401 18.117 2.632 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.333 16.403 2.276 1.00 0.00 H new ATOM 973 N LYS A 70 16.674 19.020 4.434 1.00 0.00 N ATOM 974 CA LYS A 70 17.351 20.132 5.170 1.00 0.00 C ATOM 975 C LYS A 70 17.033 20.266 6.701 1.00 0.00 C ATOM 976 O LYS A 70 17.880 20.777 7.438 1.00 0.00 O ATOM 977 CB LYS A 70 17.108 21.462 4.402 1.00 0.00 C ATOM 978 CG LYS A 70 17.851 21.578 3.047 1.00 0.00 C ATOM 979 CD LYS A 70 17.550 22.898 2.311 1.00 0.00 C ATOM 980 CE LYS A 70 18.359 23.026 1.011 1.00 0.00 C ATOM 981 NZ LYS A 70 17.992 24.265 0.299 1.00 0.00 N ATOM 0 H LYS A 70 15.995 19.344 3.745 1.00 0.00 H new ATOM 0 HA LYS A 70 18.410 19.875 5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.038 21.571 4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 70 17.412 22.293 5.039 1.00 0.00 H new ATOM 0 HG2 LYS A 70 18.925 21.500 3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.568 20.740 2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.485 22.952 2.083 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.779 23.739 2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.425 23.031 1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.173 22.163 0.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.546 24.339 -0.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.978 24.245 0.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.192 25.086 0.905 1.00 0.00 H new ATOM 994 N ALA A 71 15.874 19.799 7.206 1.00 0.00 N ATOM 995 CA ALA A 71 15.685 19.524 8.658 1.00 0.00 C ATOM 996 C ALA A 71 16.504 18.318 9.238 1.00 0.00 C ATOM 997 O ALA A 71 17.060 18.445 10.332 1.00 0.00 O ATOM 998 CB ALA A 71 14.174 19.356 8.895 1.00 0.00 C ATOM 0 H ALA A 71 15.051 19.602 6.636 1.00 0.00 H new ATOM 0 HA ALA A 71 16.092 20.372 9.209 1.00 0.00 H new ATOM 0 HB1 ALA A 71 13.992 19.152 9.950 1.00 0.00 H new ATOM 0 HB2 ALA A 71 13.657 20.271 8.607 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.802 18.525 8.296 1.00 0.00 H new ATOM 1004 N VAL A 72 16.591 17.170 8.531 1.00 0.00 N ATOM 1005 CA VAL A 72 17.406 15.990 8.972 1.00 0.00 C ATOM 1006 C VAL A 72 18.950 16.241 8.852 1.00 0.00 C ATOM 1007 O VAL A 72 19.651 16.142 9.864 1.00 0.00 O ATOM 1008 CB VAL A 72 16.888 14.684 8.267 1.00 0.00 C ATOM 1009 CG1 VAL A 72 17.763 13.426 8.499 1.00 0.00 C ATOM 1010 CG2 VAL A 72 15.455 14.303 8.708 1.00 0.00 C ATOM 0 H VAL A 72 16.107 17.024 7.645 1.00 0.00 H new ATOM 0 HA VAL A 72 17.260 15.839 10.042 1.00 0.00 H new ATOM 0 HB VAL A 72 16.926 14.955 7.212 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.326 12.577 7.974 1.00 0.00 H new ATOM 0 HG12 VAL A 72 18.769 13.608 8.121 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.811 13.208 9.566 1.00 0.00 H new ATOM 0 HG21 VAL A 72 15.145 13.394 8.192 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.439 14.133 9.784 1.00 0.00 H new ATOM 0 HG23 VAL A 72 14.770 15.113 8.459 1.00 0.00 H new ATOM 1020 N VAL A 73 19.485 16.550 7.654 1.00 0.00 N ATOM 1021 CA VAL A 73 20.907 16.980 7.499 1.00 0.00 C ATOM 1022 C VAL A 73 20.899 18.539 7.390 1.00 0.00 C ATOM 1023 O VAL A 73 20.580 19.099 6.333 1.00 0.00 O ATOM 1024 CB VAL A 73 21.615 16.276 6.292 1.00 0.00 C ATOM 1025 CG1 VAL A 73 23.087 16.727 6.131 1.00 0.00 C ATOM 1026 CG2 VAL A 73 21.632 14.730 6.378 1.00 0.00 C ATOM 0 H VAL A 73 18.964 16.513 6.778 1.00 0.00 H new ATOM 0 HA VAL A 73 21.499 16.675 8.362 1.00 0.00 H new ATOM 0 HB VAL A 73 21.011 16.581 5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 73 23.535 16.211 5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 73 23.121 17.803 5.962 1.00 0.00 H new ATOM 0 HG13 VAL A 73 23.643 16.484 7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 73 22.140 14.323 5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.159 14.422 7.281 1.00 0.00 H new ATOM 0 HG23 VAL A 73 20.609 14.356 6.410 1.00 0.00 H new ATOM 1036 N LYS A 74 21.278 19.237 8.478 1.00 0.00 N ATOM 1037 CA LYS A 74 21.248 20.725 8.524 1.00 0.00 C ATOM 1038 C LYS A 74 22.440 21.355 7.726 1.00 0.00 C ATOM 1039 O LYS A 74 23.557 21.487 8.231 1.00 0.00 O ATOM 1040 CB LYS A 74 21.167 21.157 10.014 1.00 0.00 C ATOM 1041 CG LYS A 74 20.811 22.642 10.285 1.00 0.00 C ATOM 1042 CD LYS A 74 19.394 23.065 9.825 1.00 0.00 C ATOM 1043 CE LYS A 74 19.370 23.784 8.462 1.00 0.00 C ATOM 1044 NZ LYS A 74 17.996 23.804 7.927 1.00 0.00 N ATOM 0 H LYS A 74 21.609 18.802 9.339 1.00 0.00 H new ATOM 0 HA LYS A 74 20.364 21.112 8.016 1.00 0.00 H new ATOM 0 HB2 LYS A 74 20.425 20.532 10.511 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.128 20.945 10.483 1.00 0.00 H new ATOM 0 HG2 LYS A 74 20.903 22.834 11.354 1.00 0.00 H new ATOM 0 HG3 LYS A 74 21.544 23.274 9.784 1.00 0.00 H new ATOM 0 HD2 LYS A 74 18.761 22.179 9.769 1.00 0.00 H new ATOM 0 HD3 LYS A 74 18.958 23.721 10.579 1.00 0.00 H new ATOM 0 HE2 LYS A 74 19.741 24.803 8.572 1.00 0.00 H new ATOM 0 HE3 LYS A 74 20.034 23.277 7.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.962 24.405 7.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 17.706 22.837 7.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 17.349 24.185 8.647 1.00 0.00 H new ATOM 1057 N GLY A 75 22.178 21.687 6.451 1.00 0.00 N ATOM 1058 CA GLY A 75 23.241 21.993 5.449 1.00 0.00 C ATOM 1059 C GLY A 75 23.519 20.945 4.336 1.00 0.00 C ATOM 1060 O GLY A 75 24.625 20.919 3.782 1.00 0.00 O ATOM 0 H GLY A 75 21.232 21.754 6.076 1.00 0.00 H new ATOM 0 HA2 GLY A 75 22.982 22.934 4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.172 22.160 5.991 1.00 0.00 H new ATOM 1064 N THR A 76 22.531 20.122 3.941 1.00 0.00 N ATOM 1065 CA THR A 76 22.556 19.405 2.636 1.00 0.00 C ATOM 1066 C THR A 76 22.267 20.378 1.453 1.00 0.00 C ATOM 1067 O THR A 76 21.284 21.125 1.458 1.00 0.00 O ATOM 1068 CB THR A 76 21.624 18.157 2.631 1.00 0.00 C ATOM 1069 OG1 THR A 76 21.757 17.450 1.401 1.00 0.00 O ATOM 1070 CG2 THR A 76 20.118 18.393 2.825 1.00 0.00 C ATOM 0 H THR A 76 21.701 19.931 4.502 1.00 0.00 H new ATOM 0 HA THR A 76 23.566 19.021 2.492 1.00 0.00 H new ATOM 0 HB THR A 76 21.969 17.609 3.508 1.00 0.00 H new ATOM 0 HG1 THR A 76 21.168 16.666 1.409 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.594 17.438 2.799 1.00 0.00 H new ATOM 0 HG22 THR A 76 19.946 18.876 3.787 1.00 0.00 H new ATOM 0 HG23 THR A 76 19.744 19.033 2.026 1.00 0.00 H new ATOM 1078 N LYS A 77 23.096 20.306 0.402 1.00 0.00 N ATOM 1079 CA LYS A 77 22.781 20.963 -0.907 1.00 0.00 C ATOM 1080 C LYS A 77 21.671 20.289 -1.803 1.00 0.00 C ATOM 1081 O LYS A 77 21.458 20.719 -2.940 1.00 0.00 O ATOM 1082 CB LYS A 77 24.123 21.249 -1.635 1.00 0.00 C ATOM 1083 CG LYS A 77 24.883 20.031 -2.208 1.00 0.00 C ATOM 1084 CD LYS A 77 26.300 20.390 -2.696 1.00 0.00 C ATOM 1085 CE LYS A 77 27.037 19.211 -3.353 1.00 0.00 C ATOM 1086 NZ LYS A 77 26.622 19.030 -4.758 1.00 0.00 N ATOM 0 H LYS A 77 23.986 19.808 0.416 1.00 0.00 H new ATOM 0 HA LYS A 77 22.271 21.900 -0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.924 21.940 -2.454 1.00 0.00 H new ATOM 0 HB3 LYS A 77 24.784 21.763 -0.938 1.00 0.00 H new ATOM 0 HG2 LYS A 77 24.952 19.258 -1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 77 24.314 19.610 -3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 77 26.233 21.210 -3.410 1.00 0.00 H new ATOM 0 HD3 LYS A 77 26.887 20.750 -1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 77 28.112 19.383 -3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 77 26.837 18.298 -2.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 26.552 18.015 -4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 25.696 19.480 -4.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 27.325 19.468 -5.387 1.00 0.00 H new ATOM 1099 N MET A 78 20.914 19.301 -1.282 1.00 0.00 N ATOM 1100 CA MET A 78 19.671 18.790 -1.907 1.00 0.00 C ATOM 1101 C MET A 78 18.506 19.826 -1.782 1.00 0.00 C ATOM 1102 O MET A 78 17.806 19.884 -0.764 1.00 0.00 O ATOM 1103 CB MET A 78 19.378 17.403 -1.260 1.00 0.00 C ATOM 1104 CG MET A 78 18.049 16.756 -1.701 1.00 0.00 C ATOM 1105 SD MET A 78 18.147 14.933 -1.899 1.00 0.00 S ATOM 1106 CE MET A 78 16.523 14.594 -1.112 1.00 0.00 C ATOM 0 H MET A 78 21.148 18.830 -0.408 1.00 0.00 H new ATOM 0 HA MET A 78 19.782 18.653 -2.983 1.00 0.00 H new ATOM 0 HB2 MET A 78 20.195 16.724 -1.502 1.00 0.00 H new ATOM 0 HB3 MET A 78 19.369 17.517 -0.176 1.00 0.00 H new ATOM 0 HG2 MET A 78 17.279 16.992 -0.967 1.00 0.00 H new ATOM 0 HG3 MET A 78 17.735 17.199 -2.646 1.00 0.00 H new ATOM 0 HE1 MET A 78 16.362 13.517 -1.059 1.00 0.00 H new ATOM 0 HE2 MET A 78 16.512 15.013 -0.106 1.00 0.00 H new ATOM 0 HE3 MET A 78 15.730 15.051 -1.704 1.00 0.00 H new ATOM 1116 N ALA A 79 18.283 20.617 -2.849 1.00 0.00 N ATOM 1117 CA ALA A 79 17.163 21.595 -2.907 1.00 0.00 C ATOM 1118 C ALA A 79 15.779 20.923 -3.208 1.00 0.00 C ATOM 1119 O ALA A 79 15.231 20.989 -4.313 1.00 0.00 O ATOM 1120 CB ALA A 79 17.584 22.677 -3.921 1.00 0.00 C ATOM 0 H ALA A 79 18.862 20.603 -3.689 1.00 0.00 H new ATOM 0 HA ALA A 79 16.991 22.056 -1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.795 23.425 -4.004 1.00 0.00 H new ATOM 0 HB2 ALA A 79 18.503 23.155 -3.582 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.752 22.217 -4.895 1.00 0.00 H new ATOM 1126 N PHE A 80 15.232 20.267 -2.175 1.00 0.00 N ATOM 1127 CA PHE A 80 13.951 19.524 -2.241 1.00 0.00 C ATOM 1128 C PHE A 80 13.185 19.760 -0.901 1.00 0.00 C ATOM 1129 O PHE A 80 13.729 19.550 0.187 1.00 0.00 O ATOM 1130 CB PHE A 80 14.267 18.023 -2.523 1.00 0.00 C ATOM 1131 CG PHE A 80 13.034 17.120 -2.695 1.00 0.00 C ATOM 1132 CD1 PHE A 80 12.269 17.185 -3.865 1.00 0.00 C ATOM 1133 CD2 PHE A 80 12.622 16.283 -1.652 1.00 0.00 C ATOM 1134 CE1 PHE A 80 11.092 16.449 -3.976 1.00 0.00 C ATOM 1135 CE2 PHE A 80 11.448 15.544 -1.767 1.00 0.00 C ATOM 1136 CZ PHE A 80 10.678 15.636 -2.924 1.00 0.00 C ATOM 0 H PHE A 80 15.668 20.233 -1.253 1.00 0.00 H new ATOM 0 HA PHE A 80 13.306 19.871 -3.049 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.874 17.959 -3.426 1.00 0.00 H new ATOM 0 HB3 PHE A 80 14.872 17.634 -1.704 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.593 17.809 -4.685 1.00 0.00 H new ATOM 0 HD2 PHE A 80 13.217 16.210 -0.754 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.501 16.509 -4.878 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.134 14.899 -0.959 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.758 15.076 -3.005 1.00 0.00 H new ATOM 1146 N ALA A 81 11.906 20.168 -0.973 1.00 0.00 N ATOM 1147 CA ALA A 81 11.074 20.404 0.240 1.00 0.00 C ATOM 1148 C ALA A 81 10.706 19.133 1.078 1.00 0.00 C ATOM 1149 O ALA A 81 10.940 19.120 2.290 1.00 0.00 O ATOM 1150 CB ALA A 81 9.840 21.209 -0.214 1.00 0.00 C ATOM 0 H ALA A 81 11.419 20.343 -1.852 1.00 0.00 H new ATOM 0 HA ALA A 81 11.671 20.965 0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.198 21.406 0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.163 22.154 -0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.285 20.636 -0.957 1.00 0.00 H new ATOM 1156 N GLY A 82 10.138 18.086 0.453 1.00 0.00 N ATOM 1157 CA GLY A 82 9.719 16.860 1.177 1.00 0.00 C ATOM 1158 C GLY A 82 8.563 16.073 0.524 1.00 0.00 C ATOM 1159 O GLY A 82 7.723 16.615 -0.200 1.00 0.00 O ATOM 0 H GLY A 82 9.956 18.059 -0.550 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.581 16.199 1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.422 17.138 2.188 1.00 0.00 H new ATOM 1163 N LEU A 83 8.493 14.780 0.858 1.00 0.00 N ATOM 1164 CA LEU A 83 7.326 13.912 0.554 1.00 0.00 C ATOM 1165 C LEU A 83 6.482 13.730 1.870 1.00 0.00 C ATOM 1166 O LEU A 83 6.837 12.857 2.676 1.00 0.00 O ATOM 1167 CB LEU A 83 7.819 12.546 -0.011 1.00 0.00 C ATOM 1168 CG LEU A 83 8.522 12.524 -1.393 1.00 0.00 C ATOM 1169 CD1 LEU A 83 9.034 11.107 -1.705 1.00 0.00 C ATOM 1170 CD2 LEU A 83 7.612 12.994 -2.540 1.00 0.00 C ATOM 0 H LEU A 83 9.243 14.294 1.350 1.00 0.00 H new ATOM 0 HA LEU A 83 6.692 14.369 -0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 83 8.507 12.116 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.957 11.881 -0.067 1.00 0.00 H new ATOM 0 HG LEU A 83 9.353 13.226 -1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.526 11.104 -2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.745 10.800 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.194 10.412 -1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.162 12.956 -3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.740 12.343 -2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.288 14.017 -2.351 1.00 0.00 H new ATOM 1182 N PRO A 84 5.377 14.490 2.152 1.00 0.00 N ATOM 1183 CA PRO A 84 4.583 14.324 3.409 1.00 0.00 C ATOM 1184 C PRO A 84 3.737 13.013 3.561 1.00 0.00 C ATOM 1185 O PRO A 84 3.623 12.489 4.674 1.00 0.00 O ATOM 1186 CB PRO A 84 3.742 15.616 3.432 1.00 0.00 C ATOM 1187 CG PRO A 84 3.590 16.027 1.965 1.00 0.00 C ATOM 1188 CD PRO A 84 4.918 15.625 1.323 1.00 0.00 C ATOM 0 HA PRO A 84 5.238 14.191 4.270 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.770 15.444 3.895 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.237 16.397 4.010 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.750 15.517 1.494 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.409 17.097 1.868 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.787 15.333 0.281 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.634 16.446 1.336 1.00 0.00 H new ATOM 1196 N LYS A 85 3.192 12.466 2.462 1.00 0.00 N ATOM 1197 CA LYS A 85 2.425 11.192 2.465 1.00 0.00 C ATOM 1198 C LYS A 85 3.338 9.929 2.611 1.00 0.00 C ATOM 1199 O LYS A 85 4.338 9.763 1.902 1.00 0.00 O ATOM 1200 CB LYS A 85 1.601 11.128 1.148 1.00 0.00 C ATOM 1201 CG LYS A 85 0.379 12.079 1.084 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.300 12.133 -0.305 1.00 0.00 C ATOM 1203 CE LYS A 85 0.434 12.963 -1.379 1.00 0.00 C ATOM 1204 NZ LYS A 85 0.305 14.415 -1.142 1.00 0.00 N ATOM 0 H LYS A 85 3.267 12.891 1.538 1.00 0.00 H new ATOM 0 HA LYS A 85 1.769 11.182 3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.263 11.357 0.313 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.252 10.105 1.006 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.355 11.762 1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.698 13.084 1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.411 11.113 -0.674 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.304 12.539 -0.182 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.489 12.690 -1.389 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.032 12.719 -2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.813 14.935 -1.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.700 14.681 -1.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.712 14.653 -0.215 1.00 0.00 H new ATOM 1217 N ILE A 86 2.943 9.007 3.509 1.00 0.00 N ATOM 1218 CA ILE A 86 3.609 7.681 3.687 1.00 0.00 C ATOM 1219 C ILE A 86 3.665 6.758 2.420 1.00 0.00 C ATOM 1220 O ILE A 86 4.722 6.171 2.167 1.00 0.00 O ATOM 1221 CB ILE A 86 3.013 6.978 4.965 1.00 0.00 C ATOM 1222 CG1 ILE A 86 3.805 5.717 5.410 1.00 0.00 C ATOM 1223 CG2 ILE A 86 1.513 6.586 4.847 1.00 0.00 C ATOM 1224 CD1 ILE A 86 5.174 6.004 6.039 1.00 0.00 C ATOM 0 H ILE A 86 2.153 9.151 4.138 1.00 0.00 H new ATOM 0 HA ILE A 86 4.669 7.879 3.843 1.00 0.00 H new ATOM 0 HB ILE A 86 3.110 7.756 5.722 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.201 5.161 6.127 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.947 5.071 4.544 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.188 6.109 5.771 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.916 7.481 4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.382 5.893 4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.651 5.064 6.317 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.802 6.530 5.320 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.044 6.622 6.928 1.00 0.00 H new ATOM 1236 N GLU A 87 2.577 6.642 1.625 1.00 0.00 N ATOM 1237 CA GLU A 87 2.603 5.918 0.321 1.00 0.00 C ATOM 1238 C GLU A 87 3.685 6.411 -0.684 1.00 0.00 C ATOM 1239 O GLU A 87 4.516 5.599 -1.080 1.00 0.00 O ATOM 1240 CB GLU A 87 1.187 5.769 -0.299 1.00 0.00 C ATOM 1241 CG GLU A 87 0.435 7.065 -0.704 1.00 0.00 C ATOM 1242 CD GLU A 87 -0.972 6.804 -1.234 1.00 0.00 C ATOM 1243 OE1 GLU A 87 -1.903 6.780 -0.240 1.00 0.00 O ATOM 1244 OE2 GLU A 87 -1.238 6.636 -2.419 1.00 0.00 O ATOM 0 H GLU A 87 1.667 7.039 1.859 1.00 0.00 H new ATOM 0 HA GLU A 87 2.938 4.910 0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.274 5.141 -1.186 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.564 5.229 0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.374 7.727 0.160 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.012 7.589 -1.466 1.00 0.00 H new ATOM 1251 N ASP A 88 3.764 7.714 -1.008 1.00 0.00 N ATOM 1252 CA ASP A 88 4.868 8.287 -1.844 1.00 0.00 C ATOM 1253 C ASP A 88 6.328 7.935 -1.393 1.00 0.00 C ATOM 1254 O ASP A 88 7.160 7.596 -2.237 1.00 0.00 O ATOM 1255 CB ASP A 88 4.689 9.826 -1.959 1.00 0.00 C ATOM 1256 CG ASP A 88 3.414 10.287 -2.674 1.00 0.00 C ATOM 1257 OD1 ASP A 88 2.306 10.254 -2.146 1.00 0.00 O ATOM 1258 OD2 ASP A 88 3.653 10.722 -3.946 1.00 0.00 O ATOM 0 H ASP A 88 3.077 8.406 -0.707 1.00 0.00 H new ATOM 0 HA ASP A 88 4.768 7.804 -2.816 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.697 10.252 -0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.550 10.237 -2.486 1.00 0.00 H new ATOM 1263 N ARG A 89 6.614 7.960 -0.078 1.00 0.00 N ATOM 1264 CA ARG A 89 7.881 7.421 0.493 1.00 0.00 C ATOM 1265 C ARG A 89 8.033 5.865 0.372 1.00 0.00 C ATOM 1266 O ARG A 89 9.028 5.407 -0.194 1.00 0.00 O ATOM 1267 CB ARG A 89 8.044 7.914 1.958 1.00 0.00 C ATOM 1268 CG ARG A 89 8.005 9.453 2.164 1.00 0.00 C ATOM 1269 CD ARG A 89 8.549 9.965 3.509 1.00 0.00 C ATOM 1270 NE ARG A 89 7.770 9.440 4.664 1.00 0.00 N ATOM 1271 CZ ARG A 89 6.717 10.023 5.230 1.00 0.00 C ATOM 1272 NH1 ARG A 89 6.210 11.159 4.835 1.00 0.00 N ATOM 1273 NH2 ARG A 89 6.157 9.421 6.234 1.00 0.00 N ATOM 0 H ARG A 89 5.983 8.350 0.622 1.00 0.00 H new ATOM 0 HA ARG A 89 8.696 7.815 -0.114 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.255 7.466 2.562 1.00 0.00 H new ATOM 0 HB3 ARG A 89 8.992 7.539 2.344 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.574 9.922 1.362 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.973 9.788 2.060 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.593 9.671 3.613 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.522 11.055 3.519 1.00 0.00 H new ATOM 0 HE ARG A 89 8.072 8.549 5.058 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.624 11.655 4.046 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.400 11.550 5.315 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.526 8.530 6.565 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.347 9.839 6.692 1.00 0.00 H new ATOM 1287 N ALA A 90 7.067 5.056 0.859 1.00 0.00 N ATOM 1288 CA ALA A 90 7.074 3.576 0.686 1.00 0.00 C ATOM 1289 C ALA A 90 7.068 3.022 -0.779 1.00 0.00 C ATOM 1290 O ALA A 90 7.852 2.120 -1.084 1.00 0.00 O ATOM 1291 CB ALA A 90 5.879 3.041 1.495 1.00 0.00 C ATOM 0 H ALA A 90 6.262 5.402 1.381 1.00 0.00 H new ATOM 0 HA ALA A 90 8.038 3.217 1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.835 1.956 1.404 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.999 3.313 2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.956 3.475 1.111 1.00 0.00 H new ATOM 1297 N ASN A 91 6.218 3.555 -1.682 1.00 0.00 N ATOM 1298 CA ASN A 91 6.284 3.285 -3.149 1.00 0.00 C ATOM 1299 C ASN A 91 7.693 3.550 -3.792 1.00 0.00 C ATOM 1300 O ASN A 91 8.258 2.663 -4.439 1.00 0.00 O ATOM 1301 CB ASN A 91 5.192 4.122 -3.895 1.00 0.00 C ATOM 1302 CG ASN A 91 3.700 3.949 -3.587 1.00 0.00 C ATOM 1303 OD1 ASN A 91 2.965 4.899 -3.354 1.00 0.00 O ATOM 1304 ND2 ASN A 91 3.172 2.760 -3.650 1.00 0.00 N ATOM 0 H ASN A 91 5.461 4.188 -1.422 1.00 0.00 H new ATOM 0 HA ASN A 91 6.097 2.217 -3.266 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.430 5.173 -3.729 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.320 3.931 -4.961 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.169 2.639 -3.507 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.761 1.950 -3.843 1.00 0.00 H new ATOM 1311 N LEU A 92 8.265 4.754 -3.583 1.00 0.00 N ATOM 1312 CA LEU A 92 9.657 5.095 -3.987 1.00 0.00 C ATOM 1313 C LEU A 92 10.791 4.233 -3.340 1.00 0.00 C ATOM 1314 O LEU A 92 11.672 3.774 -4.069 1.00 0.00 O ATOM 1315 CB LEU A 92 9.818 6.620 -3.741 1.00 0.00 C ATOM 1316 CG LEU A 92 11.141 7.279 -4.202 1.00 0.00 C ATOM 1317 CD1 LEU A 92 11.365 7.178 -5.719 1.00 0.00 C ATOM 1318 CD2 LEU A 92 11.144 8.758 -3.796 1.00 0.00 C ATOM 0 H LEU A 92 7.777 5.525 -3.127 1.00 0.00 H new ATOM 0 HA LEU A 92 9.790 4.843 -5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.995 7.131 -4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.705 6.803 -2.672 1.00 0.00 H new ATOM 0 HG LEU A 92 11.951 6.737 -3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.308 7.658 -5.980 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.398 6.129 -6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.548 7.676 -6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.075 9.222 -4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.302 9.266 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.057 8.838 -2.712 1.00 0.00 H new ATOM 1330 N ILE A 93 10.776 3.976 -2.017 1.00 0.00 N ATOM 1331 CA ILE A 93 11.736 3.032 -1.354 1.00 0.00 C ATOM 1332 C ILE A 93 11.616 1.553 -1.889 1.00 0.00 C ATOM 1333 O ILE A 93 12.661 0.959 -2.159 1.00 0.00 O ATOM 1334 CB ILE A 93 11.700 3.210 0.211 1.00 0.00 C ATOM 1335 CG1 ILE A 93 12.147 4.637 0.670 1.00 0.00 C ATOM 1336 CG2 ILE A 93 12.564 2.165 0.968 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.702 5.044 2.086 1.00 0.00 C ATOM 0 H ILE A 93 10.112 4.405 -1.373 1.00 0.00 H new ATOM 0 HA ILE A 93 12.751 3.301 -1.646 1.00 0.00 H new ATOM 0 HB ILE A 93 10.652 3.057 0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.234 4.693 0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.757 5.367 -0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.495 2.344 2.041 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.201 1.162 0.744 1.00 0.00 H new ATOM 0 HG23 ILE A 93 13.603 2.254 0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.063 6.049 2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.614 5.028 2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.114 4.343 2.812 1.00 0.00 H new ATOM 1349 N ALA A 94 10.413 0.983 -2.132 1.00 0.00 N ATOM 1350 CA ALA A 94 10.260 -0.253 -2.960 1.00 0.00 C ATOM 1351 C ALA A 94 10.875 -0.216 -4.404 1.00 0.00 C ATOM 1352 O ALA A 94 11.547 -1.171 -4.804 1.00 0.00 O ATOM 1353 CB ALA A 94 8.767 -0.619 -3.011 1.00 0.00 C ATOM 0 H ALA A 94 9.533 1.352 -1.772 1.00 0.00 H new ATOM 0 HA ALA A 94 10.855 -1.018 -2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.633 -1.519 -3.611 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.402 -0.799 -2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.206 0.202 -3.458 1.00 0.00 H new ATOM 1359 N TYR A 95 10.689 0.879 -5.169 1.00 0.00 N ATOM 1360 CA TYR A 95 11.433 1.116 -6.441 1.00 0.00 C ATOM 1361 C TYR A 95 12.993 1.210 -6.307 1.00 0.00 C ATOM 1362 O TYR A 95 13.698 0.559 -7.078 1.00 0.00 O ATOM 1363 CB TYR A 95 10.785 2.341 -7.143 1.00 0.00 C ATOM 1364 CG TYR A 95 11.305 2.649 -8.557 1.00 0.00 C ATOM 1365 CD1 TYR A 95 11.108 1.735 -9.597 1.00 0.00 C ATOM 1366 CD2 TYR A 95 11.989 3.842 -8.812 1.00 0.00 C ATOM 1367 CE1 TYR A 95 11.601 2.003 -10.871 1.00 0.00 C ATOM 1368 CE2 TYR A 95 12.466 4.115 -10.091 1.00 0.00 C ATOM 1369 CZ TYR A 95 12.273 3.195 -11.118 1.00 0.00 C ATOM 1370 OH TYR A 95 12.712 3.474 -12.385 1.00 0.00 O ATOM 0 H TYR A 95 10.029 1.621 -4.934 1.00 0.00 H new ATOM 0 HA TYR A 95 11.331 0.229 -7.066 1.00 0.00 H new ATOM 0 HB2 TYR A 95 9.709 2.178 -7.199 1.00 0.00 H new ATOM 0 HB3 TYR A 95 10.942 3.220 -6.518 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.571 0.817 -9.411 1.00 0.00 H new ATOM 0 HD2 TYR A 95 12.147 4.553 -8.015 1.00 0.00 H new ATOM 0 HE1 TYR A 95 11.462 1.286 -11.667 1.00 0.00 H new ATOM 0 HE2 TYR A 95 12.986 5.041 -10.287 1.00 0.00 H new ATOM 0 HH TYR A 95 12.126 3.038 -13.038 1.00 0.00 H new ATOM 1380 N LEU A 96 13.526 1.970 -5.338 1.00 0.00 N ATOM 1381 CA LEU A 96 14.988 1.999 -5.029 1.00 0.00 C ATOM 1382 C LEU A 96 15.598 0.700 -4.378 1.00 0.00 C ATOM 1383 O LEU A 96 16.792 0.446 -4.546 1.00 0.00 O ATOM 1384 CB LEU A 96 15.268 3.283 -4.199 1.00 0.00 C ATOM 1385 CG LEU A 96 14.901 4.659 -4.836 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.201 5.806 -3.858 1.00 0.00 C ATOM 1387 CD2 LEU A 96 15.605 4.912 -6.181 1.00 0.00 C ATOM 0 H LEU A 96 12.970 2.583 -4.742 1.00 0.00 H new ATOM 0 HA LEU A 96 15.517 2.022 -5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.728 3.196 -3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 96 16.331 3.299 -3.957 1.00 0.00 H new ATOM 0 HG LEU A 96 13.831 4.624 -5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 96 14.938 6.757 -4.321 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.616 5.671 -2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.262 5.804 -3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.307 5.885 -6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 96 16.685 4.895 -6.035 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.322 4.135 -6.891 1.00 0.00 H new ATOM 1399 N GLU A 97 14.803 -0.147 -3.693 1.00 0.00 N ATOM 1400 CA GLU A 97 15.131 -1.590 -3.463 1.00 0.00 C ATOM 1401 C GLU A 97 15.275 -2.452 -4.768 1.00 0.00 C ATOM 1402 O GLU A 97 16.233 -3.220 -4.874 1.00 0.00 O ATOM 1403 CB GLU A 97 14.063 -2.214 -2.517 1.00 0.00 C ATOM 1404 CG GLU A 97 14.141 -1.781 -1.034 1.00 0.00 C ATOM 1405 CD GLU A 97 12.953 -2.241 -0.194 1.00 0.00 C ATOM 1406 OE1 GLU A 97 13.112 -3.509 0.276 1.00 0.00 O ATOM 1407 OE2 GLU A 97 11.968 -1.548 0.039 1.00 0.00 O ATOM 0 H GLU A 97 13.915 0.138 -3.280 1.00 0.00 H new ATOM 0 HA GLU A 97 16.120 -1.607 -3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.074 -1.959 -2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.153 -3.299 -2.564 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.058 -2.177 -0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.209 -0.694 -0.986 1.00 0.00 H new ATOM 1414 N GLY A 98 14.354 -2.332 -5.748 1.00 0.00 N ATOM 1415 CA GLY A 98 14.543 -2.918 -7.108 1.00 0.00 C ATOM 1416 C GLY A 98 15.686 -2.349 -7.990 1.00 0.00 C ATOM 1417 O GLY A 98 16.433 -3.123 -8.591 1.00 0.00 O ATOM 0 H GLY A 98 13.470 -1.836 -5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.712 -3.988 -6.991 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.608 -2.801 -7.656 1.00 0.00 H new ATOM 1421 N GLN A 99 15.823 -1.015 -8.074 1.00 0.00 N ATOM 1422 CA GLN A 99 16.960 -0.349 -8.768 1.00 0.00 C ATOM 1423 C GLN A 99 18.273 -0.416 -7.917 1.00 0.00 C ATOM 1424 O GLN A 99 18.494 0.404 -7.017 1.00 0.00 O ATOM 1425 CB GLN A 99 16.565 1.125 -9.084 1.00 0.00 C ATOM 1426 CG GLN A 99 15.460 1.358 -10.151 1.00 0.00 C ATOM 1427 CD GLN A 99 15.847 1.070 -11.611 1.00 0.00 C ATOM 1428 OE1 GLN A 99 16.907 0.551 -11.946 1.00 0.00 O ATOM 1429 NE2 GLN A 99 14.995 1.410 -12.545 1.00 0.00 N ATOM 0 H GLN A 99 15.155 -0.361 -7.666 1.00 0.00 H new ATOM 0 HA GLN A 99 17.166 -0.876 -9.700 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.239 1.593 -8.155 1.00 0.00 H new ATOM 0 HB3 GLN A 99 17.462 1.652 -9.409 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.602 0.736 -9.896 1.00 0.00 H new ATOM 0 HG3 GLN A 99 15.133 2.395 -10.083 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.107 1.843 -12.292 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.219 1.242 -13.526 1.00 0.00 H new ATOM 1438 N GLN A 100 19.144 -1.394 -8.214 1.00 0.00 N ATOM 1439 CA GLN A 100 20.458 -1.546 -7.538 1.00 0.00 C ATOM 1440 C GLN A 100 21.567 -1.721 -8.605 1.00 0.00 C ATOM 1441 O GLN A 100 21.812 -2.857 -9.071 1.00 0.00 O ATOM 1442 CB GLN A 100 20.412 -2.624 -6.418 1.00 0.00 C ATOM 1443 CG GLN A 100 19.578 -2.243 -5.155 1.00 0.00 C ATOM 1444 CD GLN A 100 19.642 -3.260 -4.008 1.00 0.00 C ATOM 1445 OE1 GLN A 100 19.531 -4.469 -4.181 1.00 0.00 O ATOM 1446 NE2 GLN A 100 19.808 -2.816 -2.783 1.00 0.00 N ATOM 1447 OXT GLN A 100 22.201 -0.702 -8.983 1.00 0.00 O ATOM 0 H GLN A 100 18.965 -2.103 -8.925 1.00 0.00 H new ATOM 0 HA GLN A 100 20.714 -0.638 -6.991 1.00 0.00 H new ATOM 0 HB2 GLN A 100 20.004 -3.543 -6.838 1.00 0.00 H new ATOM 0 HB3 GLN A 100 21.433 -2.843 -6.106 1.00 0.00 H new ATOM 0 HG2 GLN A 100 19.925 -1.278 -4.786 1.00 0.00 H new ATOM 0 HG3 GLN A 100 18.537 -2.115 -5.450 1.00 0.00 H new ATOM 0 HE21 GLN A 100 19.903 -1.815 -2.612 1.00 0.00 H new ATOM 0 HE22 GLN A 100 19.842 -3.472 -2.003 1.00 0.00 H new